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NIST Standard Reference Database 84

FIZ/NIST Inorganic Crystal Structure Database (ICSD)

NOTE: This database consists of a one year subscription which consists of two releases per year which must be renewed to continue use.


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The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 120,000 entries and covering the literature from 1913 to the present. The database has a Windows-based graphical user interface which is tabular in design and allows for searching in four general categories of Chemistry, Crystal Data, Reduced Cell Symmetry and Reference Data. It includes enhanced features for the characterization of materials based on lattice and chemistry search modules and 3-dimensional visualization and powder pattern simulation of inorganic structures.

To be included in the database, a structure has to be fully characterized, the atomic coordinates determined and the composition fully specified. A typical entry includes inter alia, the chemical name, formula, unit cell, space group, complete atomic parameters (including atomic displacement parameters), site occupation factors, title, authors and literature citation. In addition to the published data, many items are added through expert evaluation or are generated by computer programs such as the Wyckoff sequence, molecular formula and weight, ANX formula, mineral group, etc.

System Requirements: Pentium processor or higher, MS Windows®98, 2000, NT, Me, XP, or 7, Hard-disk with at least 350 MB for full installation, 128 MB RAM recommended minimum, CD-ROM device, 14" monitor (min. 256 colors, min. 800x600 pixel), Mouse

NOTE: This database consists of a one year subscription which consists of two releases per year which must be renewed to continue use.

You may browse the Users' Guide to see how this database works.

Click here for frequently asked questions for installation.

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ICSD Price List

NIST no longer offers academic pricing for new ICSD customers. Existing customers please contact Lydia.paek@nist.gov or data@nist.gov to renew your subscription.

Product Licensee License USD
CD-ROM Regular Fee Basic License (1 Installation) 2040.00online
    Multiple License (2-4 Installation) 3000.00online
    Multiple License (5 and More Installations) 3720.00online

Effectively immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via UPS International. Customer will be responsible for their own duties, tax, and VAT. Contact 301 975 2200 or data@nist.gov if you have questions.

This database consists of 2 shipments per year.
The total yearly international shipping fee is $60.00. you will be billed $30.00 for each international shipment.

84. FIZ/NIST Inorganic Crystal Structure Database (ICSD)

For more information please contact:

Standard Reference Data Program
National Institute of Standards and Technology
100 Bureau Dr. Stop 8550
Gaithersburg, MD 20899-8550 (301) 975-2200 (VOICE) (301) 975-4553 (FAX) Contact Us


The scientific contact for the database is:

Dr. Vicky Lynn Karen
Ceramics Division
National Institute of Standards and Technology (301) 975-6255 vicky.karen@nist.gov
(301) 975-6255 Phone

Keywords: metal; intermetallic; mineral; chemical structure; chemistry; crystal; crystal structure; crystallography; density; inorganic; lattice; materials; organic; unit cell; space group; atomic parameters; absolute configuration; defect structure; disorder; electron diffraction; powder; single crystal; magnetic structure; mineral name;mixed crystal - solid solution; modulated structure; neutron diffractionNMR; polytype structure; rietveld profile; synchroton radiation; twinned crystal; x-ray diffraction (powder)