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SA LE S C
ATALO G 014 - 2 015
2
INTERNATIONAL CENTRE FOR DIFFRACTION DATA
Table of Contents
ICDD’S VISION
The International Centre for Diffraction Data will
continue to develop tools and support the education
required for materials analyses of tomorrow.
ICDD’S MISSION
The International Centre for Diffraction Data
will continue to be the world center for quality
diffraction and related data to meet the needs
of the technical community. ICDD promotes the
application of materials characterization methods
in science and technology by providing forums for
the exchange of ideas and information.
Advances in X-ray Analysis19
Alphabetical Indexes
17
Databases
3
Data Books
17
Denver X-ray Conference
19
Dow Polymer Pattern Collection
17
Educational Resource Package
18
Grant-in-Aid Program
20
Hanawalt Search Manual
17
ICDD Clinics
18
Licensing the PDF & ICDD Software
1–2
Online Resources
3
Order/Quotation Form
28
Ordering and Shipping Information
29
Organic and Organometallic Phases 17
PDF Products Overview
3
PDF-2 Release 2014
12
PDF-2/PDF-4+ Comparison
14–15
PDF-4+ 2014
8
PDF-4/Minerals 2014
10
PDF-4/Organics 2015
11
Powder Diffraction File
3–7
Powder Diffraction Journal
19
PPXRD-13
19
Preferred Computer Specifications
9
Pricing (excludes Japan, Russia and South Korea) 25–27
Printed Indexes & Search Manuals
17
SIeve/SIeve+ 2014
Specialized Workshops
Vendors
WebPDF-4+ 2014
Which Database?
16–17
18
21–24
9
13
ICDD databases are the only
crystallographic databases in the world
with quality marks and quality review
processes that are ISO certified.
ICDD, the ICDD logo, PDF, and Denver X-ray Conference and design are registered in the U.S. Patent and Trademark Office.
Powder Diffraction File is a trademark of the JCPDS—International Centre for Diffraction Data.
©2014 JCPDS—International Centre for Diffraction Data.
ICDD is an ISO 9001:2008 certified company.
LICENSING
LICENSING
The ICDD database and software products are licensed for use on a single PC. Database
and software licenses grant end users a limited, nonexclusive and nontransferable license
to access the contents of the product for personal or internal business purposes; and to
download such contents on the hard drive of a single computer, as needed, to facilitate
data processing. It cannot be installed, accessed or displayed on more than one PC without
purchasing additional licenses. It is expressly prohibited to access the database over a
network, or access the database using desktop sharing or screen sharing software. License
terms vary by product. Please see page 9 in this catalog for information on WebPDF-4+
licensing.
The initial term of the license for PDF-2 and SIeve is five (5) years from the license
registration key date. At the end of your five (5) year license term, you will have two options
for your license. Option 1: Purchase a license for the current release of the PDF-2, SIeve,
or PDF-4+. Option 2: Extend your original license for one additional five (5) year term, free
of charge, provided that the licensed user has the same organization name and address
(i.e., the registered user), and the product license has not been previously renewed or
converted to a PDF-4+ product.
All PDF-4 products are licensed for one (1) year. ICDD offers a subscription service that
provides automatic renewals for your PDF-4 products. Prior to the expiration of your
license, ICDD will automatically invoice and ship your PDF-4 renewal based on your original
invoice date.
LICENSE TERMS
Product
License Term
PDF-2
5 years
SIeve
5 years
PDF-4 products*
1 year
SIeve+*
1 year
*Serviced by subscription featuring
automatic annual renewals.
Visit our Product &
Registration Tutorials
site: www.icdd.com/
resources/tutorials
PRODUCT LICENSE POLICIES
Academic Pricing Policy
Site License Renewals
An academic price is awarded to degree-granting (Assoc., B.S.,
M.S., Ph.D.) institutions. The name of the institution must appear
on the degree in order to qualify for the academic pricing.
Institutions may be required to submit documentation to verify
eligibility. Please consult ICDD’s price list for eligible products.
In order to take advantage of the site license renewal pricing,
both the Master License, and the Secondary Licenses of the
database must be renewed yearly. To renew a site license, ICDD
requires that the Master License and all Secondary Licenses, be
purchased concurrently on a single purchase order.
Site License Policy†
Adding Licenses to a Site
ICDD’s Site License Policy is designed for a multiuser laboratory
to facilitate multiple licenses of the PDF-2 or PDF-4 databases at
a single site. A single site is defined by the building where the
database will be installed. Multiple users in different buildings
need to purchase separate site licenses for each building.
In order to add additional licenses to an established site, all
database licenses in the site must be updated to the current
release.
Combo Site License Subscription
A site license includes the purchase of a Master License, plus the
purchase of Secondary Licenses (discounted additional licenses).
Site licenses are no longer limited to 10 database licenses. The
site is still determined by a building; however, customers can
now purchase an unlimited number of additional licenses at
discounted pricing. The number of licenses is determined by the
number of computers that will be running the database. ICDD
requires that the Master License and all Secondary Licenses be
purchased concurrently on a single purchase order. ICDD does
not offer licensing for local servers or networks.
ICDD offers a combination site license that allows for multiple
licenses of the PDF-2 or PDF-4 databases† at a single site. The
combo site license is serviced by subscription with yearly automatic renewals based on the anniversary of the original invoice
date for the PDF-2 or PDF-4 databases†. ICDD will automatically
bill and ship renewal licensed products as specified in ICDD’s then
current price list.
Multiyear Site License
In response to customer requests, ICDD offers multiyear site
licenses. The multiyear site license is offered as a convenience to
our customers using site license pricing. This license is serviced
by subscription and is available for a PDF-2 site, a PDF-4+ site,
a WebPDF-4+ site, a combo PDF-2/PDF-4+/WebPDF-4+ site, or a
PDF-4/Organics site.
†PDF-4/Minerals is not eligible for site licensing. Site and multiyear site licenses
for PDF-4/Organics cannot be combined with other PDF databases.
For further licensing information, please visit: www.icdd.com/licenses/index.htm
W W W. I C D D . C O M
1
LICENSING
Multiyear License Policy
To assist customers with their yearly renewals, ICDD offers multiyear licenses that allow you to prepay for future renewals. The
multiyear license renewal pricing provides savings on yearly
license renewals, along with fixed pricing on the renewal for the
purchased license term. Multiyear pricing is available for PDF-2,
PDF-4+, WebPDF-4+, and PDF-4/Organics. If the price for these
products increases during your multiyear license period, you will
not be billed the difference.
Multiyear license renewal pricing for PDF-4/Minerals, SIeve, and
SIeve+ is offered as a convenience to our customers. It is not
subject to the discount offered with our other multiyear licenses.
Please contact ICDD for further information.
To purchase a multiyear license, users need to purchase the current release of the PDF new, or renew their license to the present release using the current prices. Users may then purchase
additional years for their license. All shipping charges will be
billed on the original invoice. The multiyear license is serviced
by subscription with yearly automatic renewals based on the
anniversary of the original invoice date for both the PDF-2 and
PDF-4 databases. For each year in your multiyear license, you
will receive the newest release of your PDF product. You will
need to install and register your new product for each release.
Since ICDD’s search-indexing software (SIeve and SIeve+) is linked
to the PDF-2 and PDF-4 release year, customers utilizing this
software are encouraged to purchase a multiyear license for the
software along with their multiyear license for the database. The
multiyear license for SIeve and SIeve+ is serviced by subscription
as described in the paragraph above.
Installation & Registration
ICDD databases require registration to comply with the legal
requirements of our collaborative agreements. When renewing
your PDF license, ICDD recommends that you contact ICDD or
your software vendor to determine your data analysis software
requirements.
ICDD products (PDF-2, PDF-4+, PDF-4/Minerals, PDF-4/Organics,
SIeve and SIeve+) are automatically activated for a temporary
license period (30 days) with the initial installation. Users are
required to register their database and/or software in order
to obtain a full license from ICDD to extend beyond 30 days.
The integrated registration software will guide users through
the registration process. The registration information may then
be sent to ICDD by the web (preferred), email, fax or mail.
When ICDD receives the registration information, a registration
key for the full license will be created and sent to the user.
A registration key will be issued within 48 hours (Monday
through Friday) of receipt of the registration information. If
you have not heard from us within 48 hours, kindly fax us your
registration (610.325.9823) noting that it is a second request or
call us at 610.325.9814.
PDF-4+Scholar –
Multiyear License for Academics
PDF-4+Scholar is an incentive available
solely for our academic customers who
qualify under ICDD’s academic license
policy. PDF-4+Scholar is a five (5) year
multiyear license package for PDF-4+,
which includes a license for SIeve+. It is
identical to PDF-4+ in content and capability. The difference is in the licensing
terms – the PDF-4+Scholar Package
offers one extended license term of
five years on the last product release in the multiyear license. The
PDF-4+Scholar Package is available on CD or DVD.
Customers will need to purchase the current release of PDF-4+ and
SIeve+ in order to purchase the PDF-4+Scholar Package. Customers
with a current release of the database will only need to purchase
the PDF4+Scholar Package.
Like all PDF-4 products, the PDF-4+Scholar Package is handled
by automatic subscription. Your yearly automatic renewals will
be shipped based on the anniversary of the original invoice for
the PDF-4+Scholar Package. For each year in your PDF-4+Scholar
multiyear license, you will receive the newest release of the
PDF-4+. The last release in the package will be the PDF-4+Scholar
product, which is licensed for five years.
Product warranty is on the preferred computer specifications
associated with the product release. If you need to change your
computer specifications, ICDD recommends that you reference
the ReadMe.txt or product insert for your product release to check
for compatibility.
For more information, please visit:
www.icdd.com/products/multiyearlicensing
Check with your software vendor annually
to confirm software compatibility when
purchasing a multiyear license.
Contact ICDD for WebPDF-4+ registration information.
2
I N T E R N AT I O N A L C E N T R E F O R D I F F R A C T I O N D ATA Release 2014 of the Powder Diffraction File (PDF) contains 799,700+ unique material data sets.
Each data set contains diffraction, crystallographic and bibliographic data, as well as experimental,
instrument and sampling conditions, and select physical properties in a common standardized
format. The PDF databases are designed to solve your material problems. The PDF is produced in
several different formats in order to serve different groups of users.
PDF-2 is a collaborative product between ICDD, Fachinformation- PDF-4/Minerals is the most comprehensive collection of
szentrum Karlsruhe (FIZ), and the National Institute of Standards
and Technology (NIST). It is designed for inorganic materials analyses. Many common organic materials from ICDD are added to this
database to facilitate rapid material identification.
PDF-4+ is our most advanced database, designed for both phase
identification and quantitative analysis. It contains the data from
both the PDF-2 and ICDD’s collaboration with MPDS. This database
has comprehensive material coverage for inorganic materials and it
contains numerous additional features such as digitized patterns,
molecular graphics, and atomic parameters. Features to enhance
the ability to do quantitative analysis have been incorporated into
PDF-4+.
mineral data in the world! Ninety-seven percent of all known
mineral types, as defined by the International Mineralogical
Association (IMA), are represented in the database, as well as
many unclassified minerals. PDF-4/Minerals is a subset of the
PDF-4+ database, which includes all of the software features
incorporated into PDF-4+.
PDF-4/Organics is a highly targeted database with the world’s
largest collection of pharmaceutical excipients and polymer
materials. It is designed for a multitude of applications in pharmaceutical, regulatory, specialty chemical, biomaterial, and forensic
fields. The product has all of the display software and data mining
capabilities contained in the PDF-4 family of products.
WebPDF-4+ provides the needed portability for accessing the PDF-4+ Printed Books and Indexes include ICDD’s experimentally
database via the internet. It enables full functionality of the
PDF-4+ database using a high-speed internet connection. WebPDF-4+
is delivered as a USB compatible dongle.
RELEASE YEAR
PDF-4
Searches
Display Fields
collected diffraction patterns and search manuals. These
materials have been produced annually for 64 years, and are
commonly used as reference books.
2009
2010
2011
2012
2013
2014
53
85
53
90
55
91
56
91
57
92
63
115
ENTRIES
PDF-4+ PDF-4/Minerals
PDF-4/Organics
291,440
34,212
370,844
301,282
36,036
406,773
316,291
37,642
470,181
328,660
39,410
471,257
340,653
40,424
479,278
354,264
41,423
494,966
PDF-2
Searches
Display Fields
Entries
49
24
218,610
50
40
230,346
51
40
243,911
52
43
250,182
52
47
265,127
55
47
274,443
Table 1. Search options, display fields and entry counts for the last six (6) releases of database products. Every PDF database offers self-contained
data mining capability using our embedded data mining software.
Online Resources
Visit our website– www.icdd.com
Our goal is to help you solve your material problems.
We provide online publications, technical bulletins, tutorials, and videos.
Many tutorials focus on capabilities of the database, but there are also
general tutorials that describe methods used to analyze drugs, polymers,
and minerals. The tutorial page has links to free download publications,
as well as instructional videos. Our website also contains over 930 full
publications for free download from Advances in X-ray Analysis. Our
website, tutorial page, and publication pages are there to help you!
www.icdd.com/resources/tutorials
www.icdd.com/products/technicalbulletins.htm
www.icdd.com/resources/axasearch/search_based_on_vol.asp
W W W. I C D D . C O M
3
THE POWDER DIFFRACTION FILE
SMART DATABASES
THE POWDER DIFFRACTION FILE
The Powder Diffraction File
Having a Smart Database
The Powder Diffraction File (PDF) is the only crystallographic database that
is specifically designed for material identification and characterization.
It is an analysis system that is comprised of crystallographic and diffraction
data. These data with embedded data mining and analysis software have
been through a quality and classification editorial review system.
S
M
A
R
T
Standardized data
More Coverage
All data sets are evaluated for quality
Reviewed, edited and corrected prior
to publication
The ICDD has developed this material identification system through close collaboTargeted for material identification
ration with its international membership of scientists, and >70 years of feedback
and characterization
from database users. With a focus on material identification, the ICDD combines
single crystal and powder diffraction data sources on both crystalline and noncrystalline materials to provide users with a wide range of capability in the analysis of solid state
materials. This combination enables the identification and characterization of 4, 5 and 6 dimensional modulated structures, while simultaneously being able to analyze noncrystalline polymers,
drugs and clays. The combination also provides the most comprehensive materials coverage of any
crystallographic database in diverse areas such as minerals, ceramics, polymers, pigments, metals
You get the best of both
and alloys, pharmaceuticals, and pharmaceutical excipients. Frankly speaking, this is the world’s
worlds by combining a
most powerful database for materials identification! The ICDD has edited and reviewed over 1
powder database with a single
million publications to publish nearly close to 800,000 unique entries, which are published in three
crystal database into a single
major database products, PDF-2, PDF-4, and PDF-4/Organics. As shown in the figure below, these
product! Single crystal data
numbers are constantly changing as we review the world literature and obtain new sources of data
and experimental powder data
on an annual basis.
can be very complimentary in
Collaborative
Partners
The Powder Diffraction File combines data from several sources through a series of past and
present strategic collaborations with other crystallographic database organizations. This often
differentiates the PDF databases. PDF-4+, WebPDF-4+, and PDF-4/Minerals are the only databases
with data from MPDS (LPF), and PDF-4/Organics is the only database with data from CCDC (CSD).
Data sourced from the ICDD, NIST, and ICSD are common to all of our databases.
The world’s most powerful database for materials identification!
The Powder Diffraction File Growth
500,000
450,000
400,000
350,000
300,000
250,000
200,000
150,000
100,000
50,000
0
powder diffraction analyses.
Our collaborative
partners include:
Fachinformationszentrum
Karlsruhe (FIZ) Karlsruhe,
Germany–Inorganic Crystal
Structure Database (ICSD)
National Institute of Standards
and Technology (NIST)
Gaithersburg, Maryland
Material Phases Data System
(MPDS) Vitznau, Switzerland–
Linus Pauling File (LPF)
PDFPDF-4/Organics
2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014
Data Entry Source
00- ICDD
01- FIZ
02- CCDC
03- NIST
04- MPDS
05- ICDD Crystal Data
Total No. of Data Sets
New Entries
No. with atomic coordinates
Reference Intensity Ratio - I/Ic
Experimental Digital Patterns
Calculated Digital Patterns
PDF-2
Release 2014 111,864
152,103
0
10,067
0
409
274,443
9,316
0
178,318
0
0
PDF-4+ 2014
WebPDF-4+ 2014
111,864
61,376
0
3,018
177,597
409
354,264
19,420
239,568
258,125
9,029
354,264
Table 2.
4
I N T E R N AT I O N A L C E N T R E F O R D I F F R A C T I O N D ATA PDF-4/
Minerals 2014
11,747
10,929
0
207
18,518
22
41,423
1,253
29,456
30,587
106
41,423
PDF-4/
Organics 2015
37,753
10,991
431,359
281
0
14,582
494,966
15,689
59,746
463,710
4,869
494,966
THE PDF DATABASES
Core Capabilities
All PDF databases have comprehensive material coverage through the combination
of single crystal and powder diffraction data. These data are classified into more
Comprehensive coverage
than 30 subfiles based on chemistry and material use. The subfiles are annually
Extensive subfiles
reviewed and updated by experts in the field. This ensures that our users are
Standard nomenclature
searching the correct application and chemistry for their particular problem,
All formula expressed as
greatly increasing the accuracy of the results. Similarly, standardized formula and
atom and weight %
elemental composition allows elemental data and functional group information to
be used in a material search and identification. Standardization and classification
are performed by ICDD editors and data suppliers who review, edit and standardize the world literature. Physical
properties such as color, melting point and density can be used in a search and identification process through
the data mining software embedded in all PDF databases.
Identify Materials
The above combinations allow our users to identify
the correct materials in the shortest possible time,
while greatly reducing false positives. This is what
distinguishes the PDF from all other databases.
I/Ic values have been calculated for hundreds of
thousands of materials enabling semi-quantitative
analysis by the Reference Intensity Ratio (RIR)
method. This method is used and applied in the
plug-in programs, SIeve and SIeve+. These values
are also used by global commercial data analysis
programs to perform RIR calculations. In fact,
almost all major commercial software programs
use this feature.
An excellent example of the power of using multiple data sources is given in the PDF-4/Organics
Technical Bulletin for the formulation analysis
of Lipitor, where reference data from powder
patterns, crystal structures, a nanomaterial, and
a patent combine in a multiphase analysis.
PDF-4 products contain atomic coordinates and
cell parameters used for quantitative analysis by
Rietveld refinement. These data are also reviewed
and standardized before publication. PDF-4+
contains the largest collection of inorganic atomic
coordinates of any crystallographic database with
239,568 entries. It is also the most diverse in
Full digital patterns
terms of the number of unique formulations by
I/Ic
empirical formula.
Atomic coordinates
PDF-4/Organics contains over 60,000 entries
with atomic coordinates. These entries are
Targeted material collections
highly targeted towards commercial materials,
specifically pharmaceuticals, excipients, pigments,
The primary difference between PDF-2 and PDF-4 and forensic materials. The ICDD actively targets
databases is the PDF-4 databases are addition- new commercial materials through its grant
ally designed for material quantification. Every and bibliographic processes, so new materials
entry in a PDF-4 database can be expressed as are constantly added to the database. These
a digital pattern. This process uses three differ- targeted acquisitions mean that PDF-4/Organics
ent algorithms depending on the data available is much more effective at phase identification and
for the calculation. The full digital patterns can quantitation.
be adjusted for various known instrumental
and specimen conditions using simple JAVA™
point and click interfaces. Digital patterns can be
used to perform quantitative analysis by pattern
scaling and fitting. The digital patterns also
allow the user to use different radiations for the
analysis enabling conventional X-ray, electron,
neutron, and synchrotron data analyses.
Quantify
Materials
For detailed examples with
each database product,
please see the ICDD
Technical Bulletins at
www.icdd.com/products/
technicalbulletins.htm
W W W. I C D D . C O M
5
THE PDF DATABASES
New Content
Top selling pharmaceuticals added to the database
The crystal structures and powder patterns of a surprising number of the largest dollar volume
commercial pharmaceuticals are unpublished; and the structures for many other pharmaceuticals
have only been determined at low temperatures. To provide high-quality reference data for the
Powder Diffraction File database, synchrotron powder diffraction patterns have been collected on
many materials at ambient conditions. Thirty of the top 200 drugs were added to the database and
an additional 54 generic drugs were added via ICDD’s targeted acquisition programs in 2014. These
data include crystalline pharmaceuticals with structure determinations, as well as characteristic
scattering patterns of many commercial amorphous pharmaceuticals.
Figure 1.
Crystalline and non-crystalline polymers
Polymers often can pose a challenge for XRD investigations. Variations in macromolecule chain length,
the occurrence of chain branching, and processing conditions often result in polymer materials
that can be amorphous, semi crystalline, highly crystalline, randomly oriented, or preferentially
oriented. Inclusion of raw data XRD patterns for polymers in the PDF database, starting in Release
2009, provides a more complete picture to help identify crystalline and amorphous components of a
polymer XRD pattern. The original discussion of including full pattern polymer data in the PDF began
with an ICDD members’ task group, and is now a reality with 146 polymer raw data XRD patterns in
the PDF, focusing on high volume commercial polymers. This includes 29 new patterns added to the
2014 product release. Overall, the polymer subfile in PDF-4+ Release 2014 contains 1,282 entries.
Figure 2. Cellulose Triacetate Form I, PDF 00-064-1453. This entry results from the
collaborative efforts of the three research groups cited below.
Gates, S., Blanton, T., International Centre for Diffraction Data, Newtown Square, PA, USA;
Kaduk, J., Poly Crystallography Inc., Naperville, IL, U.S.A. Private Communication (2013);
Kobayashi, T., Hayakawa, D., Khishigjargal, T., Ueda, K., MRS Online Proc. Libr. 1470 (2012);
Blanton, T., Eastman Kodak Co., Rochester, NY, U.S.A. Private Communication (2013).
6
I N T E R N AT I O N A L C E N T R E F O R D I F F R A C T I O N D ATA THE PDF DATABASES
New Capabilities
Search and identify neutron diffraction data and quantitate by RIR
Neutron powder diffraction is a useful tool because elemental scattering contrast is quite different
when compared to X-rays. We have calculated neutron scattering patterns for 241,561 entries in the
PDF-4+ 2014 product. We have implemented search/match methods using Hanawalt, Fink, and Long8
methods for phase identification, and built dedicated tables in the PDF-4+ 2014 to accommodate
these search/match methods. I/Ic values specific to neutron diffraction have also been calculated.
New display fields specific to neutron diffraction indexes can now be searched and displayed.
Figure 3. Two phase identification
of a fuel cell composition. Neutron
diffraction data (red) were taken at the
Enchidna diffractometer courtesy of The
Bragg Institute, ANSTO. The analysis was
performed using PDF-4+ and SIeve+.
Modulated structures: More entries plus new molecular graphics that
visualizes various modulations
Through strategic partnerships, ICDD has developed leading edge technology for the analysis and
standardization of modulated structures. In Release 2014, the modulated structure subfile has seen
a substantial entry increase and a new graphics package has been added allowing modulations to be
visualized.
Nanomaterials
Tools for the analysis of nanomaterials have been developed over a period of many years. These tools
are part of the embedded software in PDF-4 products. The tools include a crystallite size simulator,
orientation function, display and data processing functions, and similarity index that can be used to
match experimental and simulated data. By incorporating these tools into the simulation software, we
can also use the tools for conventional and synchrotron X-ray, neutron, and electron diffraction data.
See molecules dance
(modulate) at
www.icdd.com/
products/2014/
modulatedstructures.htm
In Release 2014, we have added several experimental nano-sized reference materials. The references,
with their experimental patterns, demonstrate the ability of powder diffraction to detect extremely
small crystalline domains.
Figure 4. Nano cerium oxide, PDF 00-064-737,
exhibiting a well defined small angle peak at 26
Å. The insert shows the experimental data and
simulation with a 12 Å (1.2 nm) crystallite size.
Specimen and data courtesy of Cerion Enterprises.
W W W. I C D D . C O M
7
PDF-4 PRODUCTS
PDF-4+ 2014
PDF-4+ 2014 contains 354,264 entries from both the PDF-2
and our collaboration with MPDS. It combines the world’s
largest sources of inorganic diffraction data from crystals and
powders into a single database. The result is a comprehensive collection
of inorganic materials, produced in a standardized format that can be
rapidly searched for unknown phase identification. Extensive data
mining is facilitated with our 115 display fields coupled with 63 searches.
PDF-4+ is designed to support automated quantitative analyses by providing key
reference data required for these analyses. It also contains an array of tools that
supplement conventional analyses, such as a full suite of data simulation programs
enabling the analysis of neutron, electron, or synchrotron data, in addition to
conventional X-ray data. PDF-4+ features digitized patterns, molecular graphics,
and atomic coordinates. These features have been incorporated into PDF-4+ to
enhance the ability to do quantitative analysis using third party software by any of
three methods: Rietveld Analysis, Reference Intensity Ratio (RIR) Method or Total
Pattern Analysis.
Last year, the ICDD added modulated entries with atomic coordinates. This year,
we have added more entries, plus new molecular graphics that visualize various
modulations. These entries are part of the new data source, designated ‘05’, which
contains crystal structures abstracted and quality checked by ICDD.
The modulated entries include complete descriptions of modulated structural
features, superspace group designations, and the W-matrix for modulated
composite structures. In the powder diffraction pattern plots, satellite peaks are
distinguished from standard cell peaks.
Many of the features and capabilities for PDF-4+ can be viewed on pages 14-15.
New Features
Identify and Quantitate
The PDF-4+ database is ICDD’s most
advanced database, designed for both
phase identification and quantitative
analysis. For quantitative analysis, the
database has the following features:
All 354,264 entries have digital patterns
for use in total pattern analysis
258,125 entries have I/Ic values for
quantitative analysis by Reference Intensity
Ratio (RIR)
239,568 entries with atomic coordinates
for quantitative analysis by the Rietveld
method
Experimental digital reference patterns for
non-crystalline materials
WHAT’S NEW
Spot indexing for electron diffraction
System-wide temperature unit preferences
New searches:
Multiple Space Group numbers search
Modulated Structure searches:
Number of dimensions
Standard or composite structures
Neutron diffraction line searches
“In Situ Condition” comment search
Adjustable wavelengths for simulated profiles
3D modulated structures display
Image courtesy of Jmol library
MODULATED STRUCTURE
SUPPORT FOR 3D DISPLAY
See molecules in motion at
www.icdd.com/products/2014
8
SPOT INDEXING FOR
ELECTRON DIFFRACTION
For more information on PDF-4+ 2014 visit
www.icdd.com/products/pdf4.htm
I N T E R N AT I O N A L C E N T R E F O R D I F F R A C T I O N D ATA PDF-4 PRODUCTS
WebPDF-4+ 2014
Data When and Where You Work
WebPDF-4+ provides portability to the PDF-4+ database via the internet.
It enables access to the entire suite of programs and data files,
so that it is equivalent to PDF-4+ 2014. WebPDF-4+ can be used
on any computer that meets the specifications and has access to a highspeed internet connection (see Table 3). WebPDF-4+ is delivered as a USB
compatible dongle, which supplies an access key to PDF-4+. There is no need
to work with a CD or DVD. The dongle is programmable, so that installation
and renewals are handled via the internet.
WebPDF-4+ requires that you have access to a high-speed internet connection. Your
organization/site must permit TCP/IP communication ports to be opened through any
firewalls. Currently, WebPDF-4+ is compatible with the majority of third party software
packages, especially software versions produced in recent years. You will need to check with
your third party software vendor to ensure that their software can interface to WebPDF-4+.
PDF-4+ is a large database with a complex database structure. Capability and speed can be
severely compromised if you are not accessing a high-speed internet connection.
How is WebPDF-4+ priced?
WebPDF-4+ is priced identically to PDF-4+. WebPDF-4+ can be used with site licenses or
multiyear licenses. Users can also convert their PDF-4+ or PDF-2 license to WebPDF-4+ using
our conversion pricing.
How is WebPDF-4+ licensed?
WebPDF-4+ is licensed for 12 months. Yearly renewals are required.
How do I register my license for WebPDF-4+?
The dongle must be registered at the licensee’s main address or “home base”. In other words,
the registration must be completed at the end user’s organization. Registration must also be
in accordance with the end user information (name of end user, organization, address) that
was received at ICDD for the initial license purchase.
How will my license renewal be handled the following year?
All PDF-4 products are handled through an automatic subscription service. ICDD will bill you
for the new release of your WebPDF-4+ product based on the anniversary of your original
invoice date for the license. For instance, if you purchased your initial license for WebPDF-4+
2013 in September 2013, ICDD will bill you for WebPDF-4+ 2014 in September 2014.
Your license renewal and registration will be handled via the internet, similar to your initial
registration. You will be required to download new software, and register your product with
each new release of the WebPDF-4+.
PREFERRED
COMPUTER
SPECIFICATIONS
HARD DISK SPACE
REQUIREMENTS:
PDF-2 Release 2014
PDF-4+ 2014
WebPDF-4+ 2014*
PDF-4/Minerals 2014
PDF-4/Organics 2015
4 GB
9 GB
0.5 GB
1.5 GB
19 GB
Intel®Core™ 2 Duo processor
or better
SUPPORTED MICROSOFT®
OPERATING SYSTEMS:
Windows Vista® (32-bit) SP2
Windows® 7 SP1
Windows® 8
Windows® 8.1
NTFS file system required
4 GB System memory
*Requires fully-powered USB port,
32-bit Internet Explorer® 11.0 or
32-bit Firefox® 28, and ability to
open TCP/IP ports through any
existing firewalls. Browser must
allow Java™ and scripts to execute.
Connectivity speed should be at
least 10.0 Mbps or higher.
Table 3.
Where can the WedPDF-4+ dongle be used?
The WebPDF-4+ can be used on any computer that meets the specifications and has access
to a high-speed internet connection (see Table 3). You will need to install the software on
each computer that you will be using to access the database. The dongle will validate each
login after registration. The dongle must always be present on the computer that you will be
using to access the database. Access is granted to WebPDF-4+ only from a local computer.
The dongle cannot be used on a server.
For more information on WebPDF-4+ 2014 visit
www.icdd.com/products/pdf4.htm
W W W. I C D D . C O M
9
PDF-4 PRODUCTS
PDF-4/Minerals 2014
HIGHLIGHTS
41,423 minerals and related
materials
19,173 minerals with unique empirical
formula
29,456 entries with atomic coordinate sets
Experimental digital patterns for select
noncrystalline and semicrystalline clays
A subset of PDF-4+, which includes all of
the features incorporated into PDF-4+
Quiruvilca Mine, Santiago de Chueo, Peru
PDF-4/Minerals is the most comprehensive collection of mineral
data in the world! Ninety-seven percent of all known mineral
types, as defined by the International Mineralogical Association
(IMA), are represented in the database, as well as many unclassified
minerals. There is a very wide selection of chemical variants within
mineral species as shown by the 19,173 unique empirical formulas
in the collection. Our database demonstrates the benefit of having
combined data from several different databases.
Due to focused editorial efforts in bibliographic searching, editorial review, and
classification, the mineral collection has more than doubled from 17,826 entries in
release 2005 to 41,423 entries in release 2014. All data are statistically analyzed,
then peer-reviewed by an editorial task group of ICDD scientist members, who are
also mineralogists. Minerals are classified by IMA designations of family, class and
subclasses, Pearson symbols, and prototype structures. All mineralogical zeolites are
similarly classified using International Zeolite Association guidelines.
The depth and breadth of mineralogy can be explored in PDF-4/Minerals using our
embedded data mining software. PDF-4/Minerals has all the software capabilities
of the larger PDF-4+ database with the large array of searches and display fields
as shown in Table 1. New for 2014 is the ability to display both mineral and zeolite
classifications in any Search Results table. Data mining tools enable identification
of complex multiphase soil compositions and analysis of geologically-characteristic
chemical variations within the mineral family.
Orpiment – As2S3 (white)
Figure 5.
Realgar – As4S4 (yellow-orange)
Figure 6.
10 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A For more information on
PDF-4/Minerals 2014 visit
www.icdd.com/products/
pdf4-minerals.htm
SOLVE DIFFICULT
PROBLEMS, GET
BETTER RESULTS
World’s largest collection of
pharmaceuticals, excipients,
and polymers
Combines single crystal and
powder data
Designed for formulation
analyses
Enhanced identification
for crystalline, nano and
amorphous materials
NEW FOR 2014
Targeted additions to the
experimental section, focused on
top-selling pharmaceuticals and
commercially-relevant polymers
of varying crystallinities
14,366 new entries with atomic
coordinates, targeted on
pharmaceuticals and industriallyimportant materials, have been
abstracted by ICDD and added to
the PDF-4/Organics 2015.
FEATURING
SIeve+ included as an added value
Trade names for over 9,800
bioactive/pharmaceutical entries
XRPD d-spacing & intensity data,
unit cell & space group information
Real and simulated XRPD patterns
for nanomaterials
SAED and EBSD e-diffraction
pattern simulation (most entries)
Links to Cambridge Structural
Database (if user-licensed) for
importing atomic coordinates
For more information on
PDF-4/Organics 2014 visit
www.icdd.com/products/
pdf4-organics.htm
PDF-4/Organics database is a highly targeted collection, with special focus
on materials used in commercial and regulatory fields. It is designed to
solve difficult problems that are analyzed by powder diffraction analysis
for a multitude of applications in the pharmaceutical, regulatory, specialty chemical,
biomaterials, and forensic fields. The PDF-4/Organics provides the best of both
worlds by including single crystal and powder diffraction data together in a single,
edited, and standardized database. We not only extract from the public literature
like other databases, we add unique content by extracting patent data, combining
single crystal and powder references, adding common inorganics and polymers,
and continuously adding targeted materials through grants and research proposals.
PDF-4/Organics incorporates virtually all of the features and capabilities described
for PDF-4+ (pages 14-15).
Pharmaceuticals
Excipients
Pigments
Polymers
Forensics
Explosives
Bioactivity
Powder
Sourced Data
5,062
1,003
668
1,249
5,266
660
642
Single Crystal
Sourced Data
5,106
1,516
473
229
6,115
549
16,850
The combination of single crystal and powder
reference data provides the user with the ability
to analyze both crystalline and non-crystalline
solid state materials. These enable users to
quantitate, measure crystallinity, and determine
crystallite sizes. For better quantitative results,
PDF-4/Organics includes digital patterns, I/Ic,
atomic coordinates, and indexed unit cells to
enable a very wide range of quantitative analysis
techniques. PDF-4/Organics includes embedded
software for scaling and adding patterns, as
well as an “intelligent” RIR calculation for semiquantitative analysis.
To help users in various fields, materials are
classified into a total of 32 subfiles. Four major
subfiles are based on chemistry, and 28 smaller
subfiles focus on commercial applications.
Subfile
Total
10,168
2,519
1,161
1,478
11,381
1,209
17,492
Table 4. Multiple
sources provide
extensive coverage of
critical materials for
many of the subfiles.
The subfiles direct searches, and eliminate false
positives, improving identification efficiency
independent of the search/match program that
may be used. PDF-4/Organics 2015 contains
melting point data, color designations, molecular
weights and densities. These physical properties
can be data mined and combined with the user’s
diffraction data for improved phase identification.
When it comes to materials, our database
has guidelines, not rules. The ICDD includes
ALL materials that help to do an analysis. In
addition to excipients, PDF-4/Organics includes
common inorganic salts and corrosion products
for enhanced identification of crystalline,
nanocrystalline and amorphous materials.
Figure 7. The four phase
identification of the formulation
of Lipitor uses references from a
single crystal determination, an
experimental powder pattern
of cellulose Iβ, a calculated
powder pattern and pattern
extracted from the patent
literature. The identification
required an inorganic excipient,
polymer excipient and two
organic compounds. A variety of
reference materials and sources
enabled the identification.
W W W . I C D D . C O M 11
PDF-4 PRODUCTS
PDF-4/Organics 2015
PDF-2 RELEASE
PDF-2 Release 2014
Be Confident with PDF-2
How “good” is your database? We know that any database can get you an
answer, but is it the right answer? Be confident with PDF-2. It is designed to
get you the right answer with the most cost effective license.
PDF-2 Release 2014 is designed for rapid and accurate phase identification with 274,443 entries. It
combines the power of both powder diffraction and crystal structure reference data from the ICDD,
ICSD, and NIST database sources. This combination results in a globally sourced database containing
extensive collections of inorganic, mineral, and metals and alloys data. All data are reviewed, edited
and standardized prior to PDF-2 publication. This standardization process is especially important due
to the large number of sources used for the database.
The PDF-2 database is licensed for five (5) years, with one free option to extend the license for an
additional five (5) years. The PDF-2 database offers the highest value in the global marketplace. This
value is due to its low annual cost amortized over the lifetime of the license, combined with its large
content of powder and crystal structure reference data, and its high level of quality with embedded
software for data mining. Quality and subfile filters combined with 55 different searches and 47
display fields enable you to target your results for more accurate identification. The database is not
just a collection of numbers; it is a sophisticated data analysis tool.
HIGHLIGHTS:
274,443 Entries:
242,528 Inorganic
38,995 Organic
9,000+ new entries
111,800+ experimental
entries; many are
exclusive to ICDD
QUALITY
+ VALUE
PDF-2
MORE DATA MINING!
Our data mining software is integrated into PDF-2 as an added
value to our customers! PDF-2 provides display, search and data
mining choices with 47 display fields that work interactively
with 55 searches.
NEW FOR PDF-2 RELEASE 2014
IN SITU CONDITION
COMMENT SEARCH
For more information on PDF-2 Release 2014 visit
www.icdd.com/products/pdf2
12 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A PDF-2
Web PDF-4/ PDF-4/
Release PDF-4+ PDF-4+ Minerals Organics
2014
2014
2014
2014
2015
I AM WORKING WITH INORGANIC COMPOUNDS
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a
a
I AM WORKING PRIMARILY WITH ORGANIC COMPOUNDS
a
a
I AM WORKING PRIMARILY WITH MINERALS
a
I WORK WITH ELECTRON DIFFRACTION/SYNCHROTRON
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a
a
a
I NEED TO WORK AT THE OFFICE AND HOME
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Rietveld
a
a
a
a
Reference Intensity Ratio (RIR)
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a
a
a
Pattern Fitting
a
a
a
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274,443
354,264
354,264
41,423
494,966
9,316
13,611
13,611
1,253
15,689
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a
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a
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1 year
1 year
1 year
1 year
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a
I NEED TO DO QUANTITATIVE ANALYSIS
I NEED A DATABASE WITH ATOMIC COORDINATES
HOW MANY ENTRIES ARE IN THE DATABASE?
HOW MANY ENTRIES ARE NEW?
I am using vendor software for my analysis. Which
databases will work with my vendor software?
Global
software vendors provide search/match software
that interfaces with our databases. You need to check
with your software vendor for compatibility.
WHAT IS THE LICENSE TERM FOR THE DATABASE?
a
5 years
MULTIYEAR LICENSE AVAILABLE
a
a
a
SITE LICENSE AVAILABLE
a
a
aa
W W W . I C D D . C O M 13
WHICH DATABASE?
WHICH DATABASE IS RIGHT FOR YOU?
FEATURES COMPARISON
FEATURES
Total entries
Inorganic entries
Organic entries
Entries with atomic coordinates
SEARCH CLASSIFICATIONS:
# of searches
PDF-4+ 2014
354,264
322,336
39,512
239,568
PDF-2 Release 2014
274,443
242,528
38,995
0
63
55
All Names Search for compounds: plus nomenclature fields
a
a
Ambient/Non-ambient
a
a
ANX Structural Formula search (ICSD entries only)
a
a
Atomic Coordinates
a—
Atomic Coordinates – Cross-Referenced
a—
Atomic Environment Type
a—
Author’s Cell Axial Ratio search
a
a
Author’s Cell Molecular Volume/Formula Unit Volume
a
a
Bibliographic: Author, Journal, Title, Year, CAS No., Codens, Volume
a
a
Cell/Volume: Author’s, Crystal, Reduced (including ESDs)
a
a
Chemical formula
a
a
Comments
a
a
Composition Search: weight & atomic percentages
a
a
Crystal Data Axial Ratio Search
a
a
Crystal Symmetry
a
a
Database Source: ICDD Crystal Data (05)
a
a
Density: Calculated & Measured
a
a
Density: Structure-derived density for LPF entries
a—
Empirical Formula
a
a
Estimated Standard Deviation (ESD) available for all numeric searches
a
a
I/Ic
a
a
Neutron Diffraction
New
—
Lines: Long and Strong
a
a
Neutron Diffraction
New
—
LPF Prototype Structure search: Alphabetical order and Chemical Formula order a
a
Melting Point
a
a
Mineral Classification, Mineral Name
a
a
Mineral subclasses: Gem, Natural, Synthetic a
a
Modulated Structure:
Modulated Dimension
a
a
Subsystems
a
a
Organic Functional Group
a
a
PD3 Pattern
a—
Pearson Symbol Code
a
a
Periodic Table
a
a
Property Sheet
a—
Prototype Structure: Alphabetical order and Chemical Formula order a
a
Quality Mark
a
a
R-factor
a
a
Reduced Cell: Cell Axes and Cell Volume
a
a
Searches exclude Deleted Patterns by default
a
a
Smith-Snyder Figure of Merit (SS/FOM)
a
a
Space Groups: Author-Defined SPG, International Table SPG
a
a
Structural Formula
a
a
Subfile
a
a
Hydrogen Storage Materials
a
a
Temperature of Data Collection
a—
Zeolite Classification
a
a
Bolded items signify new features
14 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A # of display fields
PDF-4+ 2014
PDF-2 Release 2014
115
47
a—
a—
2D structures for experimental organic entries
3D structures
Dynamic unit cell settings Support for modulated structures
Bond Distances/Angles display
Database fields for display in search results, include, but not limited to:
Ambient/Non-ambient
Author’s Cell and Volume
Cross-Referenced Atomic Coordinates
Crystal Data, Volume, and Axial Ratio
D1 to D10 and L1 to L10
Has Atomic Coordinates
I/Ic – Neutron Diffraction
Lines: Long and Strong - Neutron diffraction
Mineral Classification
Reduced Cell and Volume
Structural Formula
Temperature of Data Collection
Zeolite Classification
Digitized patterns for experimental & calculated entries:
Calculated patterns: X-ray, electron and neutron
Automatic experimental data import for known file types
Automatic/manual experimental data background subtraction Import instrument parameters
Relative X-ray wavelength intensities can be changed
Custom X-ray wavelength for Kα2
Debye Scherrer geometry for neutron diffraction
“Set Synchrotron Defaults” button
Electron Diffraction Pattern: Simulated Electron Backscattering Pattern and Spot Indexing
Graphing Capabilities:
Graph results (x-y plot, category plot, histogram)
Logarithmic option for the graph y-axis
PNG and Tiff graph exports
Profile functions: Crystallite size, Pseudo-Voight, plus more
“Q” and “d” options for the graph x-axis
Greek Character Searches
PD3 Patterns: Raw experimental data
PDF Entry Display:
Crystal Symmetry
Digital Object Identifiers (DOI) as hyperlinks in the References Table
d-spacings with intensities calculated using neutron diffraction
I/Ic calculated using neutron diffraction
Modulated Structures
“Temperature Series” button shows entries of the same temperature series Ring Pattern
Simulate using neutron and electron diffraction
Overlay image for visual comparison
Search Results Capabilities:
Calculations for mean, median, and ESD
Flexible formulae sorting in search results
Shortcut to PDF toolbar
Total Pattern Analysis: Similarity Index
Compare experimental data to PD3 patterns
New
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New
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New—
New
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New
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New—
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Bolded items signify new features
W W W . I C D D . C O M 15
DISPLAY AND CAPABILITIES COMPARISON
DISPLAY & CAPABILITIES
SUPPORT SOFTWARE
SIeve/SIeve+ 2014
Search and Identify
ICDD’s search indexing programs, SIeve for PDF-2 and SIeve+ for PDF-4,
are designed to search and identify unknown materials. SIeve and
SIeve+ are integrated into the ICDD databases to allow the use of the
extensive data mining interfaces, searches, and sorts available to improve
accuracy and precision of the identification process. For example, users
can utilize the extensive permutable searches in each database, then
define their own search subfile or use any of the “application or expertdefined” subfiles and subclasses to increase the accuracy of their phase
identification. In many cases, this provides a unique capability to analyze
the most difficult problems.
SIeve and SIeve+ offer a variety of
algorithms and options that allow users to
optimize results for particular chemistries
and both standard and non-standard
diffraction systems. SIeve and SIeve+
features automatic rotation of the eight
strongest lines (Hanawalt) or the eight
longest of the strongest lines (Fink) or
the eight longest lines (Long8) to look for
entries that exhibit the best Goodness of
Match (GOM). In the last few years, new
algorithms have been added to identify
non-crystalline materials and complex
multi-phase specimens. Most of the
algorithms were developed and optimized
for a particular type of analysis and the
selection options provide the user with
a wide breadth of analytical capability.
Since the fundamental algorithms used by
SIeve/SIeve+ are different than those used
by most commercial software programs,
they can be strongly complimentary. This
complimentary nature demonstrates the
strength of SIeve/SIeve+ in the analysis
of minor and trace phases where the
full filtering capability of the PDF-2 and
PDF-4 databases can be applied. Try SIeve
or SIeve+ for a free 30-day trial after you
install your database and discover its
phase identification capability. At the end
of the 30-day trial period, contact ICDD or
your vendor for a license.
NEW FEATURES
NEW for SIeve (PDF-2): Dynamic graph
displaying the experimental data and stick
patterns of the found phases
NEW for SIeve+ (PDF-4+, WebPDF-4+,
PDF-4/Minerals): Neutron powder diffraction
patterns phase identification option
“Minimum Peak 2θ” option: filter out
erroneous low angle peaks from the
experimental data
Experimental data corrections: 2θ shift
correction, transparency correction, and
displacement correction
Synchrotron data: improved high dynamic
range intensity support
Improved Phase Identification: using residual
experimental peak intensities
For detailed examples with
each database product,
please see the ICDD
Technical Bulletins at
www.icdd.com/products/
technicalbulletins.htm
EXPERIMENTAL DATA
CORRECTIONS FOR SIEVE/SIEVE+
PHASE IDENTIFICATION
2θ Shift Correction
Transparency Correction
Displacement Correction
SIEVE FOR PDF-2 NOW DISPLAYS
A GRAPH OF EXPERIMENTAL DATA
AND STICK PATTERN PHASES.
16 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A Materials phase identification for X-ray
diffraction, neutron diffraction**, and
electron diffraction*
Import experimental data from all
major XRD hardware and software
manufacturers
Copy/paste d-spacing and intensity
data from other programs
(i.e., Microsoft® Excel®)
Customizable search algorithms
Expert-defined filters for improved
accuracy:
Subfiles
Elemental filters
Nomenclature filters
Structural classifications
Quality mark filters
Physical property filters
Analyze semi-crystallite and amorphous
materials using total pattern analysis*
Semi-quantitative analysis (estimated
weight % of phases)*
Use automatic cross-referencing to link to
higher quality patterns for more accurate
analysis*
Graph experimental data and phases
Export structure data as CIF’s for Rietveld
refinement with other software packages*
Perfect complement to other phase
identification software packages
* PDF-4 products
** PDF-4+, WebPDF-4+, PDF-4/Minerals
Phase Identification for Neutron Powder
Diffraction Patterns (SIeve+)
Printed Indexes &
Search Manuals
ICDD’s printed indexes and manuals
allow for searches and identification
of approximately 97,970 phases determined from experimental data in the
Powder Diffraction File (Sets 1–64).
For PC users, ICDD offers an electronic
alternative, SIeve search/match software
for all entries in the PDF (see pages 16–17).
Alphabetical Indexes
(Inorganic Phases) HIGHLIGHTS
• 68,565 phases
• Phases sorted by chemical name and
chemical name fragments
• Lists three strongest lines, formula,
quality mark and PDF number
for each entry
• Minerals indexed by mineralogical
name and classification
• Indexes of Cements, Common Names,
Explosives, Zeolites, and Metals & Alloys
Hanawalt Search Manual
(Inorganic Phases) HIGHLIGHTS
• 68,565 phases
• Manual identification of unknown
phases using the Hanawalt Method
• Uses d-spacings of the three most
intense lines for searches
• “Overlapped” data for experimental
error allowance
Organic & Organometallic Phases
HIGHLIGHTS
Figure 8.
OPTIMIZED FOR:
X-ray diffraction
Neutron diffraction** (NEW!) Electron diffraction
SIeve+ SIeve
(PDF-4 products) (PDF-2 product)
CAPABILITIES:
Graph phases as stick patterns
Graph phases as simulated profiles
Semi-quantitative analysis (weight %)
Analyze semi-crystallite and amorphous
materials using total pattern analysis
Export structure data as CIF’s for
Rietveld refinement
a
a
a
a
a
a
a
a
a
a
** PDF-4+, WebPDF-4+, PDF-4/Minerals
For more information on SIeve/SIeve+ 2014 visit
www.icdd.com/products/pdf4-supportsoft.htm
• 31,894 phases
• Hanawalt Index, Alphabetical Index,
Organic Formula Index, Common
Names Index
Alternate PDF Products
Data Books
Set 64 of the Powder Diffraction File, in
book form, contains PDF card images for
1,602 new experimental patterns. Previous sets are also available in book form.
Distributed Product
The following product is not produced by ICDD.
It is distributed under agreement with the Dow
Chemical Company.
Dow Polymer Pattern Collection
This softcover publication offers more
than 150 polymers, reproduced in the
form of diffractometer traces, collected
from the research laboratories of the
Dow Chemical Company. The pattern
collection includes a wide range of
common commercial polymers.
W W W . I C D D . C O M 17
SUPPORT SOFTWARE & PRINTED PRODUCTS
HIGHLIGHTS
SCIENTIFIC SUPPORT–ACTIVITIES & PRODUCTS
Education
ICDD offers a variety of educational products designated
to teach and instruct both the new and experienced user.
ICDD Clinics boast a high instructor-to-student ratio. Our
group of experienced instructors with diverse scientific
backgrounds enables the attendees to receive a blend
of both theory and results-oriented practical experience.
The weeklong format provides in-depth training not
offered in most other workshops and symposia.
2014 SPECIALIZED WORKSHOPS
NEW! Total Reflection X-ray Fluorescence (TXRF)
Workshop 14 – 16 October
http://www.icdd.com/education/txrf.htm
This three-day workshop is designed to provide more in-depth
understanding of TXRF analysis to current users who want to improve
their analysis skills and to expand the range of analyses. The workshop
also provides the basic theory and applications to those analysts who
may be interested in the technique to either develop new analyses or
supplement other current trace analysis techniques.
In addition to lectures and hands-on laboratory exercises,
the workshop will focus on:
Semiconductor Applications, including VPD TXRF Analysis
Micro and chemical analyses
Environmental: water, soil, air particulates, etc.
Food science
Biological: whole blood, serum, spinal fluid, hair, etc.
Sample prep for micro and chemical applications
Discuss sample prep techniques depending on type of samples
Rietveld Refinement & Indexing
29 Sept – 3 October
www.icdd.com/education/rietveld-workshop.htm
Learn the principles and techniques of Rietveld analysis at this
specialized workshop. Attendees have the option of taking the threeday basic workshop, the two-day advanced workshop or both together
for a full week of hands-on training. Participants must take, or have
taken in the past, ICDD’s basic Rietveld workshop as a prerequisite
for attending the advanced workshop. This workshop introduces the
theory and formalisms of various indexing methods and structural
refinement techniques. One unique aspect of this workshop is the
extensive use of computer laboratory problem solving exercises that
teach method development in a hands-on environment.
2015 XRD & XRF Clinics
Practical X-ray Fluorescence Fundamentals of X-ray Powder Diffraction 27 April – 1 May
1 – 5 June
Advanced Methods in X-ray Powder Diffraction 8 – 12 June
Learn methods to improve your analysis, specimen preparation techniques, types and sources of error, computer methods, instrumentation,
qualitative and quantitative phase analysis through concise lectures
and workshops. In pursuit of its dynamic commitment to education,
ICDD offers a limited number of tuition waivers for the clinics on X-ray
powder diffraction and the clinic on X-ray fluorescence spectrometry.
FREE Databases for Classroom Instruction
ICDD offers free PDF-4+ databases for educators teaching courses
in X-ray diffraction (note: shipping charges will be billed to the
educator). Educators will receive full access to the PDF-4+, which
includes our imbedded data mining software and search
indexing software, SIeve+. Access is time-limited and password
protected (in some cases) based on the length of the course.
Worked examples that utilize many database features are
provided in the Educational Resource Package. Please contact
[email protected] for further information.
On-site XRF & XRD Training Solutions
www.icdd.com/education/onsite.htm
ICDD can customize our leading edge educational clinics to meet
the X-ray fluorescence or powder diffraction training needs
of your employees. For over 15 years, the ICDD has provided
training to the world’s most renowned corporations, academic
institutions and government agencies. With on-site training,
you will have the advantage of our faculty members’ dedicated
attention, addressing the specific needs of your staff–all while
working hands-on with your instrument. A minimum of six
attendees is required for this service.
Educational Resource Package
ICDD’s Educational Resource Package is designed to be used
individually, or in combination, as an effective teaching tool
for powder diffraction pattern identification. The three-volume
softcover set includes Using the Powder Diffraction File, the
Education Databook, and the Educational Indexes.
The student workbook, Using the Powder Diffraction File,
contains descriptive materials, worked examples and problem
sets covering various disciplines employed in powder diffraction
pattern identification. (The Instructor’s Guide is available upon
request.) The Education Databook contains approximately 1,000
data sets of selected patterns from the PDF, specifically chosen
for teaching purposes. The workbook covers various methods
used in identification of unknown phases and refers to this
subset of the Powder Diffraction File. The Educational Indexes
are a combined Alphabetical, Hanawalt and Fink Method search
manual for use as part of the Educational Resource Package.
18 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A For more information visit
www.icdd.com/education
www.dxcicdd.com
Powder Diffraction PDJ
Powder Diffraction (PDJ), ICDD’s international
journal, is published by Cambridge University Press.
PDJ is published quarterly plus an annual special
topical issue. Beginning in 2013, author’s have been
published online shortly after their approval of the
manuscript proof via FirstView on Cambridge Journals
Online (CJO).
64th Annual Denver X-ray Conference and joint
meeting with the 16th International Conference
on Total Reflection X-ray Fluorescence Analysis
and Related Methods (TXRF)
3–7 August 2015
Westminster, Colorado, U.S.A.
DXC is the world’s largest annual conference dedicated to the
fields of X-ray analysis. Experts in the fields of X-ray diffraction
and X-ray fluorescence gather for a week of workshops, technical
sessions and manufacturers’ exhibits.
For more information on
the Denver X-ray Conference
visit www.dxcicdd.com
Advances in X-ray Analysis
The Proceedings of the Denver X-ray Conference have been
captured on CD in the volumes of Advances in X-ray Analysis.
Over 57 years of history and experience are included in the 3,213
articles from experts in the fields of X-ray analysis. Each volume
contains that year’s full proceedings plus a cumulative searchable
author and subject index from each Denver X-ray Conference
proceedings since 1957. A cumulative volume, Volumes 1–39,
features page images of all the manuscripts from the Denver
X-ray Conference from 1957–1995. Individual volumes (40-57)
are available on CD for each of the Proceedings from 1996 to
2013. The 2014 volume (58) will be available in Summer 2015.
Note: Individual papers from Volumes 40–55 are available for free
download on our website: www.icdd.com/resources/axasearch_
based_on_vol.asp
Since 2006, ICDD in collaboration with the Denver X-ray Conference
Organizing Committee, has provided a copy of the previous year’s
edition of Advances in X-ray Analysis (AXA) to Institutional Print/
Online subscribers of PDJ. This effectively doubles the number of
articles annually available to PDJ subscribers and significantly
increases the circulation for the authors in Advances in X-ray Analysis.
In 2013, Powder Diffraction published the 13th European Powder
Diffraction Conference (EPDIC13) proceedings online and will be
publishing the EPDIC14 proceedings in 2015. In 2014, Powder
Diffraction will publish the 2014 Australian X-ray Analytical
Association (AXAA) proceedings.
Subject coverage includes:
• Techniques and procedures in X-ray powder diffractometry
• Advances in instrumentation
• Study of materials including organic materials, minerals,
metals and thin film superconductors
• Publication of powder data on new materials
Subscription Rates (USD$)*
INSTITUTIONAL
Print/Online
Online INDIVIDUAL
Print/Online
Online
STUDENT
The CD is accessible in the Windows®, UNIX®/Linux® and Macintosh®
environments. Hyperlinks to the Adobe® website are provided in
the setup file should you need to install the free Adobe® Reader
software.
Pharmaceutical Powder X-ray
Diffraction Symposium
www.icdd.com/ppxrd
13th Annual PPXRD Symposium
18–21 May 2015
Schwarzwald Panorama/Black Forest Panorama
Bad Herrenalb, Germany
This annual symposium is designed to create a forum for the
exchange of knowledge and cutting-edge ideas among those interested in the combined fields of XRD and pharmaceutical sciences.
PPXRD will also include a workshop on practical applications of X-ray
analysis in the study of pharmaceutical materials. Topics will include
patent and regulatory issues, formulation, product development, drug
delivery, polymorphs, amorphous and nanomaterials, complimentary
techniques, and much more.
2014
2015
$273
$181
$300
$199
$150
$121
$35
$165
$121
$35
* Contact Cambridge University Press for pricing outside
U.S. and Canada.
To subscribe please contact:
Cambridge University Press
100 Brook Hill Drive
West Nyack, NY 10994-2133
phone: 845.353.7500
toll free: 800.872.7423
fax: 845.353.4141
email: [email protected]
For more information on Powder Diffraction visit
www.icdd.com/products/journals.htm
For more information on PPXRD visit
www.icdd.com/ppxrd
W W W . I C D D . C O M 19
SCIENTIFIC SUPPORT–ACTIVITIES & PRODUCTS
Denver X-ray Conference
GRANT-IN-AID
Grant-in-Aid Program
COULD YOU BE THE NEXT DISTINGUISHED GRANTEE?
Join ICDD’s elite group of scientists who contribute experimental powder
diffraction patterns to the Powder Diffraction File.
AS A MEMBER OF THIS ELITE GROUP, YOU WILL RECEIVE THE
FOLLOWING
BENEFITS:
Financial support to aid current research
Publication of pattern(s), if accepted by the Editorial Department,
in the Powder Diffraction File
Receive calibration standards
Purchase certain products at reduced prices
Web-based access to the list of compounds in the ICDD master database–
includes published patterns, as well as patterns still in the editorial process
First-time grantees receive a complimentary one-year subscription to Powder Diffraction
For over 50 years, ICDD’s has supported a well-developed program of grants to researchers around
the world. One of our main objectives is to expand the range of reference materials by producing
and cataloging high-quality X-ray diffraction patterns in our internationally renowned database,
the Powder Diffraction File. Thanks to the longevity of this program, these contributions account
for approximately a quarter of the current experimental file. ICDD awards financial support to
qualified investigators in the form of grant-in-aid on a competitive proposal basis. The duration of
a grant is 12 months with two cycles per year. Cycle I begins 1 April and Cycle II begins 1 October.
Distinguished Grantees
2013
Professor Xinkan Yao
2004
Dr. Tom Blanton
presenting to
Professor Shao-Fan Lin
2010
Dr. Tom Blanton
presenting to
Professor Bogdan Lazoryak
2001
Dr. Tom Blanton
presenting to
Professor Evgeny Antipov
2007
Dr. Miguel Delgado
presenting to
Dr. Sergei Kirik
Total Proposals Funded for the
Past Fifteen Years: 720
1998
Dr. Ekkehart Tillmanns
20 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A Geographic Locations of Grants
for the Past 15 Years:
Argentina
Austria
Canada
Chile
Columbia
Czech Republic
Estonia
Finland
France
Germany
India
Israel
Italy
Japan
Malaysia
Netherlands
P.R. of China
Poland
Portugal
Russia
Spain
Switzerland
Taiwan
Tunisia
Ukraine
United Kingdom
United States
Uruguay
For more information on
ICDD’s Grant-in-Aid, visit
www.icdd.com/grants
ICDD LICENSED VENDORS
ICDD Licensed Vendors
ICDD works with a global network of licensed vendors to provide ICDD products
throughout the world. Our network includes equipment manufacturers, regional
vendors, and licensed software vendors who develop commercial data analysis
programs that work seamlessly with our databases. Vendors frequently offer
additional services such as state-of-the-art X-ray analysis hardware, sophisticated
custom software integration and regional support services. Many equipment
manufacturers have offices worldwide, while regional vendors may represent
several countries. Please visit their websites for a complete list of their local offices.
Customers in Japan, South Korea and Russia must order ICDD products through an
ICDD licensed vendor.
ARGENTINA
BOLIVIA
M & A SRL
www.myasrl.com.ar
[email protected]
t: 54.11.4961.7777
f: 54.11.4961.7777
Arellano Limitada
www.arellanolimitada.com.bo
[email protected]
t: 5912.244.4502
f: 5912.244.3809
AUSTRALIA
BRAZIL
AXT Pty Ltd
www.axt.com.au
[email protected]
t: 61.2.9450.1359
f: 61.2.9450.1365
DAIRIX Equipamentos
Analíticos Ltda.
www.dairix.com.br
[email protected]
t: 55.11.3814.0654
f: 55.11.3812.3707
GBC Scientific Equipment
Pty. Ltd.
www.gbcsci.com
[email protected]
t: 613.9588.6666
f: 613.9588.6677
Targetware Informatica Ltda
www.software.com.br
[email protected]
t: 55.11.3665.8500
f: 55.11.3665.8550
BANGLADESH
CANADA
Overseas Marketing Corp
www.omcbd.com
[email protected]
t: 88.02.8154510 – 11
f: 88.02.8156739
Proto Mfg. Ltd.
www.protoxrd.com
[email protected]
t: 1.519.737.6330
f: 1.519.737.1692
BELGIUM
Corporation Software sprl
www.visualcrystal.be
[email protected]
t: 32.65.803.663
f: 32.65.235.259
Tasker Applications
www.omniinstruments.com
[email protected]
t: 416.964.2108
f: 416.964.2108
GLOBAL VENDORS
BRUKER AXS GMBH
www.bruker-axs.de
EDAX INC.
www.edax.com
GE SENSING &
INSPECTION
TECHNOLOGIES
www.ge-mcs.com
GNR SRL
www.gnr.it
INEL
INSTRUMENTATION
www.inel.fr
JORDAN VALLEY
SEMICONDUCTORS LTD.
www.jvsemi.com
PANALYTICAL B.V.
www.panalytical.com
RIGAKU CORPORATION
www.rigaku.com
SHIMADZU CORPORATION
www.shimadzu.com
STOE & CIE GMBH
www.stoe.com
THERMO SCIENTIFIC
www.thermo.com
W W W . I C D D . C O M 21
ICDD LICENSED VENDORS
COLOMBIA
GREECE
INDONESIA
Andina de Tecnologias SAS
www.anditecnica.com
[email protected]
t: 57.4416.4040
f: 57.4416.4040
Analytical Instruments SA
www.analytical.gr
[email protected]
t: 0030.210.674.8793
f: 0030.210.674.8978
PT Lab Sistematika Indonesia
www.labsystematic.com
[email protected]
t: 62.021.7041.6622
f: 62.021.8088.2751
Antisel Selidis Bros. SA
www.antisel.gr
[email protected]
t: 30.231.032.2525
f: 30.231.032.1912
PT Multi Teknindo Infotronika
www.multiteknindo.com
[email protected]
t: 6221.5794.9518
f: 6221.5794.9523
CZECH REPUBLIC
Octopuspro S.R.O.
www.octopuspro.cz
[email protected]
t: 420.736.514.986
PCS spol. s r.o.
www.pcs.cz
[email protected]
t: 420.296.796.444
f: 420.296.796.777
EGYPT
MEDScience Co.
www.medscience-eg.com
[email protected]
t: 202.247.30541
f: 202.247.30541
FRANCE
Elexience
www.elexience.fr
[email protected]
t: 33.1.595.38090
f: 33.1.601.19809
GERMANY
EFG GmbH
www.efg-berlin.de
[email protected]
t: 49.30.809.7400
f: 49.30.802.3355
RMS Kempten
www.RMSKempten.de
[email protected]
t: 49.0831.73345
f: 49.0831.79930
Epsilon Alpha
[email protected]
t: 30210.6008.998
f: 30210.6001.803
HONG KONG
HONGKONG MINGHENG
International Trading Co., Ltd.
[email protected]
t: 852.307.17670
f: 852.307.17835
INDIA
I.R. Technology Services PVT.
www.irtech.in
[email protected]
t: 91.33.2461.5832
f: 91.33.2461.5021
Perfomax Analytical
www.perfomaxtech.com
[email protected]
t: 022.2673.1868
f: 022.2673.1869
Sita Infobytes Solution Pvt. Ltd.
www.sitainfobytes.com
[email protected]
t: 91.22.421.563.27
f: 91.22.679.732.84
Techscience Services Pvt. Ltd.
www.techscience.co.in
[email protected]
t: 91.44.225.00612
f: 91.44.225.01264
22 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A ITALY
Assing SpA.
www.assing.it
[email protected]
t: 39.06.9067.0218
f: 39.06.9067.0200
IRAQ
Al-Qiffaf Scientific Co.
www.alqiffaf.com.iq
[email protected]
t: 964.1.4226743
f: 964.7901.907434
JAPAN
Digital Data Management Corp.
www.ddmcorp.com
[email protected]
t: 813.5641.1771
f: 813.5641.1772
LightStone Corp.
www.lightstone.co.jp
[email protected]
t: 813.5600.7201
f: 813.5600.6671
Maruzen Co., Ltd.
www.maruzen.co.jp
[email protected]
t: 813.6367.6079
f: 813.6367.6207
Overseas X-ray
www.oxs.co.jp
[email protected]
t: 81.48.641.4876
f: 81.48.644.5439
LITHUANIA
POLAND
ARM GATE, UAB
www.armgate.lt
[email protected]
t: 370.5278.9573
f: 370.5278.9572
LABSOFT
www.labsoft.pl
[email protected]
t: 48.22.853.2793
f: 48.22.853.2793
MALAYSIA
DKSH Technology Sdn Bhd
www.dksh.com
[email protected]
t: 603.7954.8888
f: 603.7954.8877
QC Scientific (M) SDN BHD
www.qcscientific.com.my
[email protected]
t: 603.8062.3988
f: 603.8062.3998
TESTCHEM Ltd
www.testchem.pl
[email protected]
t: 48.32.455.8890
f: 48.32.455.8883
PORTUGAL
Dias de Sousa S.A.
www.dias-de-sousa.pt/sa
[email protected]
t: 351.21.953.3120
f: 351.21.953.3129
QES (Asia-Pacific) Sdn Bhd
www.qesnet.com
[email protected]
t: 603.5882.6668
f: 603.5567.0811
Joaquim Fernandes Reis
[email protected]
t: 351.219.534.978
f: 351.219.531.951
MEXICO
REPUBLIC OF CHINA, TAIWAN
Internacional De Equipos
Cientificos S.A. DE C.V
www.iecsaenlinea.com
[email protected]
t: 52.555.741.1460
f: 52.555.741.2097
Spectramex, S.A. De C.V.
www.spectramex.com.mx
[email protected]
t: 52.55.5562.9289
f: 52.55.5393.0318
PEOPLE’S REPUBLIC OF CHINA
Beijing Purkinje General
Instrument Co., Ltd
www.pgeneral.com
[email protected]
t: 86.10.6991.0230
f: 86.10.6991.0301
E Hong Instruments Co., Ltd.
www.ehong.com.tw
[email protected]
t: 886.2.2755.2266
f: 886.2.2707.7693
San King Technology Co., Ltd.
www.sanking.com.tw
[email protected]
t: 886.223.582.668
f: 886.223.583.312
Transmission Books &
Microinfo Co., Ltd.
www.tbmc.com.tw
[email protected]
t: 88.6227.3610.58
f: 88.6227.3630.01
Union Scientific Instruments, Ltd.
www.usils.com.tw
[email protected]
t: 886.2.2541.2969
f: 886.2.2541.4855
Yenstron Corp.
www.yenstron.com.tw
[email protected]
t: 886.4.2359.3199
f: 886.4.2359.8507
REPUBLIC OF LATVIA
SIA Armgate
www.armgate.lv
[email protected]
t: 371.67.976.780
f: 371.67.976.781
ROMANIA
RONEXPRIM SRL Bucharest
www.ronexprim.com
[email protected]
t: 4021.314.35.99
f: 4021.313.62.44
RUSSIA
Sine Theta Ltd.
www.sinetheta.com
[email protected]
t: 7.495.231.6084
f: 7.495.939.4576
SAUDIA ARABIA
Kawther Ibrahim Abdulkadir
www.kiaksa.com
[email protected]
t: 00966.2.640.5846
f: 00966.2.640.4710
SINGAPORE
QES (Singapore) Ptd Ltd
www.qesnet.com
[email protected]
t: 65.6271.0608
f: 65.6271.0628
W W W . I C D D . C O M 23
ICDD LICENSED VENDORS
Tokyo Boeki Ltd.
www.tokyo-boeki.co.jp
[email protected]
t: 81.3.3555.7122
f: 81.3.3555.7131
China Educational Publications
Import & Export Corp. (CEPIEC)
www.cepiec.com.cn
[email protected]
t: 86.10.6251.4056
f: 86.10.6251.4060
(Japan continued)
ICDD LICENSED VENDORS
SOUTH KOREA
TURKEY
Korea ITS Co., Ltd. (KITS)
www.koreaits.com
[email protected]
t: 82.2.421.4022
f: 82.2.421.9022
TEKSER A.S.
www.teksercorp.com
[email protected]
t: 90.216.573.6470 x110
f: 90.216.573.6475
SCINCO Co., Ltd.
www.scinco.com
[email protected]
t: 82.2.2143.8240
f: 82.2.2143.8352
Song Jee Ind. Corp.
[email protected]
t: 82.31.737.2276
f: 82.31.737.2278
SPAIN
Delca Consultores, S.L.
www.afc-ingenieros.com
[email protected]
t: 34.913.654.405
f: 34.913.540.259
THAILAND
Crest Nanosolution
(Thailand) Limited
www.crest-group.net
[email protected]
t: 662.992.5512
f: 662.992.5513
Crest Systems (M) SDN BHD
www.crest-group.net
[email protected]
t: 660.2992.5512
f: 660.2992.5513
MedScience Technology, Ltd.
www.medsciencetech.com
[email protected]
t: 662.453.2007; 662.415.4786
f: 662.867.1087
S.E.A. Engineering Co., Ltd.
www.sea.co.th
[email protected]
t: 662.454.8407-9
f: 662.454.8410
UNITED ARAB EMIRATES
Abu Dhabi International
www.adi.ae
[email protected]
t: 00971.4.295.4854
f: 00971.4.295.4856
Lab Depot Corp.
www.labdepot.ru
[email protected]
t: 408.460.2655
f: 408.741.5235
Labsen Scientific Co.
[email protected]
t: 956.726.8074
f: 956.727.2593
UNITED KINGDOM
Materials Data, Inc.
www.materialsdata.com
[email protected]
t: 925.449.1084
f: 925.373.1659
Oxford Cryosystems
www.oxcryo.com
[email protected]
t: 44.1993.88.3488
f: 44.1993.88.3988
Proto Mfg. Inc.
www.protoxrd.com
[email protected]
t: 1.313.965.2900
f: 1.313.887.0977
UNITED STATES
SOFTWARE shop USA
www.software-shop.com
[email protected]
t: 425.651.4090 Opt 2
f: 425.696.0350
Bernd Group, Inc.
www.berndgroup.com
[email protected]
t: 800.346.8835
f: 800.346.4717
Blake Industries, Inc.
[email protected]
t: 908.233.7240
f: 908.233.1354
Compass Engineering
www.compassengineering
corporation.com
[email protected]
t: 800.431.3429
f: 800.432.1095
Export Oil Field Supply Co.
www.exoilsup.com
[email protected]
t: 713.939.1200
f: 713.939.9482
Freeslate, Inc.
www.freeslate.com
[email protected]
t: 408.773.4000
f: 408.773.4087
24 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A CD Code
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$3,450
$4,600
PDF-4+ 2013 to WebPDF-4+ 2014
W4W13RU14
$1,760
$1,150
WEBPDF-4+ 2014 SITE/MULTIYEAR LICENSE*
WEBPDF-4+ CONVERSION
*Please see Product Policies on page 1 & 2. Must have current release to take advantage of Multiyear Licence Pricing.
W W W . I C D D . C O M 25
PRICE LIST
PDF-4 Products
PRICE LIST
PDF-4/MINERALS 2014
New – Single License
Renewal from 2013 to 2014
CD Code
DVD Code
NA
NA
$1,470
$735
NA
NA
OR4D15
OR4RD15
$8,660
$3,190
$5,775
$1,300
NA OR4D16MR18
NA OR4D16MR20
$8,615
$13,560
$3,510
$5,525
MN414
MNR414
PDF-4/ORGANICS 2015
New – Single License
Renewal from 2014 to 2015
PDF-4/ORGANICS 2015 MULTIYEAR LICENSE*
Renewal – 3 year license
Renewal – 5 year license
PDF-4/ORGANICS 2015 SITE LICENSE*
List $
Academic $
$1,020
$510
New Master License
New – additional license, each
NA
NA
OR4D15M
OR4D15C
$8,660
$3,190
$5,775
$1,300
Renewal – Yearly Master License Renewal – additional license, each
NA
NA
OR4RD15M
OR4RD15C
$3,190
$1,790
$1,300
$1,210
PDF-4/Organics 2015 Site/Multiyear License (Contact ICDD Customer Service for a quote.)
SUPPORT SOFTWARE FOR PDF-4
SIEVE+ 2014
New – Single License
Renewal SWS414N
SWS414U
NA
NA
$560
$250
$400
$180
SWS415MR17
SWS415MR19
NA
NA
$825
$1,440
$595
$1,035
C214PN
C213PU14
C212PU14
C211PU14
C210PU14
NA
NA
NA
NA
NA
$8,660
$1,760
$3,520
$5,280
$7,040
$5,775
$1,150
$2,300
$3,450
$4,600
C215MR17
C215MR19
NA
NA
$4,750
$7,480
$3,105
$4,890
C214PNM
C214PNC
NA
NA
$8,660
$1,760
$5,775
$1,150
C213PU14M
C213PU14C
NA
NA
$1,760
$550
$1,150
$395
Renewal – 3 year Master Site License
Renewal – 3 year additional license, each
C215MR17M
C215MR17C
NA
NA
$5,495
$1,820
$3,810
$1,310
Renewal – 5 year Master Site License
Renewal – 5 year additional license, each
C215MR19M
C215MR19C
NA
NA
$9,340
$3,190
$6,680
$2,290
SIEVE+ 2014 MULTIYEAR LICENSE*
Renewal – 3 year license
Renewal – 5 year license
PDF-2
PDF-2 RELEASE 2014
New – Single License
Renewal – Release 2013 to Release 2014
Renewal – Release 2012 to Release 2014
Renewal – Release 2011 to Release 2014
Renewal – Release 2010 to Release 2014
PDF-2 RELEASE 2014 MULTIYEAR LICENSE*
Renewal – 3 year license
Renewal – 5 year license
PDF-2 RELEASE 2014 SITE LICENSE*
New Master License
New – additional license, each
Renewal – Yearly Master License Renewal – additional license, each
PDF-2 RELEASE 2014 SITE/MULTIYEAR LICENSE*
*Please see Product Policies on page 1 & 2. Must have current release to take advantage of Multiyear Licence Pricing.
26 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A CD Code
Code
List $
SWS214N
SWS214U
NA
NA
$560
$250
$400
$180
SWS215MR17
SWS215MR19
NA
NA
$825
$1,440
$595
$1,035
AI64
HA64
OR64
$415
$415
$415
$305
$305
$305
AI64W
HA64W
OR64W
$220
$220
$220
$220
$220
$220
Set 64: Inorganic and Organic Data
Sets 37–63 (Red): Inorganic and Organic Data BK64B
BK**B
$895
$895
$630
$630
Special Pricing — Save over 65%
Sets 1–64: Inorganic & Organic Data
BKP164
$9,000
$9,000
9WSRRI12-14
9WSRRI1-14
9WSRRI2-14
9WSTXRF-14
$1,830
$1,100
$730
$899
$1,830
$1,100
$730
$899
9CLXRF1-15
$1,950
$1,950
9CLXRD1-15
$1,950
$1,950
9CLXRD2-15
9CLXRD12-15
$1,950
$3,600
$1,950
$3,600
ERP
PW
SP
ESM
$210
$30
$30
$30
$150
$30
$30
$30
AXA**
AXA39
$170
$400
$170
$400
DPPC
$95
$95
New - Single License
Renewal SIEVE MULTIYEAR LICENSE*
Renewal - 3 year license
Renewal - 5 year license
PRINTED INDEXES & SEARCH MANUALS
Alphabetical Indexes, Inorganic Phases Hanawalt Search Manual, Inorganic Phases
Organic & Organometallic Phases With PDF Product
Alphabetical Indexes, Inorganic Phases Hanawalt Search Manual, Inorganic Phases Organic & Organometallic Phases PDF Data Books (subject to availability)
Academic $
SCIENTIFIC SUPPORT ACTIVITIES & PRODUCTS
Specialized Workshops 2014
Rietveld Refinement & Indexing Workshop 1&2
Basic Workshop:
29 September–1 October 2014
Advanced Workshop: 2–3 October 2014
Total Reflection X-ray Fluorscence (TXRF): 14–16 October 2014 NEW
CLINICS 2015
ICDD X-ray Fluorescence Clinic
Practical X-ray Fluorescence: 27 April–1 May 2015
ICDD Powder Diffraction Clinic: SESSION I
Fundamentals: 1–5 June 2015
ICDD Powder Diffraction Clinic­: SESSION II
Advanced Methods: 8–12 June 2015
ICDD Powder Diffraction Clinic: SESSIONS I & II (both courses)
Educational Resource Package
Complete Package (includes PW, SP, & ESM)
Using the Powder Diffraction File (must purchase ERP)
Education Databook (must purchase ERP)
Education Indexes (must purchase ERP)
ADVANCES IN X-RAY ANALYSIS
Proceedings of the Denver X-ray Conference
Advances in X-ray Analysis CD-ROM: Individual Volumes 40–58*
Advances in X-ray Analysis CD-ROM: Volumes 1–39 *Volume 58 will be available Summer 2015.
DISTRIBUTED PRODUCTS
Dow Polymer Pattern Collection *Please see Product Policies on page 1 & 2. Must have current release to take advantage of Multiyear Licence Pricing.
The prices listed herein supersede all others previously published and are subject to change without notice.
Visit www.icdd.com or contact our Customer Service Department (610.325.9814) for the most recent product information and pricing.
W W W . I C D D . C O M 27
PRICE LIST
SUPPORT
SOFTWARE FOR PDF-2
SIEVE 2014
ICDD Order/Quotation Form
PLEASE PRINT OR TYPE
* Required information (where the database/software is installed)
ORDERED BY
DATE
*ORGANIZATION
*END USER NAME
*DEPARTMENT
*STREET ADDRESS (NO P.O. BOXES)
*ADDRESS (BUILDING/ROOM#)
*CITY
*POSTAL CODE
*STATE/PROVINCE
*COUNTRY
*TELEPHONE
*FAX
* EMAIL
WEBSITE
ICDD CUSTOMER NO. (IF KNOWN)
CURRENT/RELEASE (PRODUCT SERIAL #)
ITEMS ORDERED
CODE
*COMPANY CLASSIFICATION
Book Dealer
Corporation
Degree-Granting Institution
Government
Institute
Other
Vendor
QUANTITY
PRICE (USD$)
*BILLING ADDRESS (IF DIFFERENT FROM ABOVE): If paying with credit card, address must be where card is issued.
*FIRST NAME
*LAST NAME
*ORGANIZATION
*ADDRESS
*ADDRESS (BUILDING/ROOM#)
*CITY
*POSTAL CODE
*STATE/PROVINCE
*COUNTRY
*TELEPHONE
*FAX
PLEASE CHECK ONE:
ORDER—BILL ME
CREDIT CARD PAYMENT
PLEASE SEND QUOTATION
PLEASE SEND PROFORMA
CREDIT CARD TYPE
VISA
MasterCard
American Express
CREDIT CARD NO. EXPIRATION DATE
NAME ON CARD (Please print)
CVV#
SIGNATURE
DATE
Terms are net 30 days, unless order is Proforma/Prepay. Finance charges of 1.5% per month may be applied to overdue balances.
NOTE: Shipping/handling charges will be added to your invoice. Duties and taxes are not included in the pricing and are the sole
responsibility of the customer.
28 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A Contact Information
phone
610.325.9814
toll free 866.378.9331 (U.S. & Canada)
fax 610.325.9823
email
[email protected]
registration [email protected]
sales
[email protected]
technical support [email protected]
web
www.icdd.com
4 Easy Ways to Order
online
www.icdd.com/products
[email protected]
fax 610.325.9823
mail International Centre for Diffraction Data
12 Campus Boulevard
Newtown Square, PA
19073-3273 U.S.A.
Please send us a sales order via fax, email or mail. ICDD requires the name of the end
user on all orders. Use product codes in your order, if possible. A convenient order
form can be found on our website at www.icdd.com/products/2014OrderForm.pdf.
E-commerce
From the Powder Diffraction File to ICDD Clinic registration, ordering ICDD products
and services has never been easier!
Pricing
The prices listed herein supersede all others previously published and are subject
to change without notice. ICDD reserves the right to discontinue any product at
its discretion. Visit our website at www.icdd.com or contact our Customer Service
Department for the most recent product information and pricing.
Return Policy
Products may be returned within 30 days from the invoice date for a full refund or
credit (excluding shipping/handling). Products must be returned in original condition
to qualify for a refund or credit. Registered products do not qualify. Please complete a
Return Merchandise Authorization (RMA) form to receive approval prior to returning
product. Visit www.icdd.com/products/RMA.doc to download the RMA form.
Defective products will be replaced promptly, but must be returned for testing.
The ICDD Online
Store Offers:
Secure transmission using
SSL encryption
Customer on-line order history
Online order tracking
Email order confirmation
Email shipping notification
Customer satisfaction
Licensing
ICDD licenses the use of the Powder
Diffraction File and software. Licensing
for the PDF-2, PDF-4 product line, and
associated software (SIeve and SIeve+)
are packaged with the CD, DVD and/or
dongle. ICDD’s product licenses are
nontransferable and intended for use
on a single computer. It is expressly
prohibited to access the database
over a network or access the database
using desktop sharing or screen sharing
software*. Please refer to the sales
descriptions and product policies for
further information on licensing.
*Contact ICDD for WebPDF-4+ licensing.
Shipment
All orders shipped by ICDD are F.O.B.
Newtown Square, PA, U.S.A.
Import duties and all taxes are not
included in pricing and are the sole
responsibility of the customer. Shipment
will be made by a commercial carrier
chosen by ICDD. For your convenience,
shipping charges will be added to all
invoices. Shipments can be insured upon
request; additional charges will apply.
Warranty Policy
Orders & Delivery
Customers’ sole remedy for any defective Licensed Product shall be replacement of the
Licensed Product, which right must be exercised by written notice given within 30 days
of purchase. Defective products will be replaced promptly, but must be returned for
testing.
All orders are handled on a First In, First
Out (FIFO) priority queue. Delivery will
occur approximately 30 days on items in
stock after receipt of completed order.
Payment Terms
Note: Customers in Japan, South Korea
and Russia must order through an ICDD
licensed vendor.
Wire transfers, credit cards (MasterCard, Visa, American Express) and checks in USD$
and drawn on U.S. banks are acceptable forms of payment. Letters of credit will not be
accepted. Payment is due within 30 days from invoice date. Finance charges of 1.5%
per month (annual percentage rate of 18%) may be applied to overdue balances.
Visit www.icdd.com/products/ordering.htm for wire transfer information.
www.icdd.com
W W W . I C D D . C O M 29
ORDERING & SHIPPING INFORMATION
Ordering & Shipping
International Centre for Diffraction Data
12 Campus Boulevard
Newtown Square, PA 19073-3273 U.S.A.
Please route to the appropriate individual in your
organization, if undeliverable to addressee.
If you receive duplicates of this catalog, or if you do
not want to receive future mailings, please fax your
mailing labels to 610.325.9823.
Thank you.
NONPROFIT ORG
U.S.POSTAGE
PAID
PERMIT #56
BROOMALL
PA 19008

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