|
|
| Data Home | ||
|
Chemical and Crystal Structure Mathematical Databases, Software and Tools Thermophysical and Thermochemical
|
 |
NIST Standard Reference Database 84FIZ/NIST Inorganic Crystal Structure Database (ICSD)
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 70,000 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 or XP, Hard-disk with at least 20 MB for minimum installation, 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 must be renewed to continue use.
For more information please contact:
National Institute of Standards and Technology 100 Bureau Dr. Stop 2310 Gaithersburg, MD 20899-2310 (301) 975-2008 (VOICE) (301) 926-0416 (FAX) Contact Us The scientific contact for the database is:
Ceramics Division National Institute of Standards and Technology (301) 975-6255 vicky.karen@nist.gov (301) 975-6255 Phone Key words: chemical structure; chemistry; crystal; crystal structure; crystallography; density; inorganic; lattice; materials; organic; unit cell; space group; atomic parameters;
|
Create Date: 6/02
Last Update: Wednesday, 05-Nov-03 10:59:19
Contact Us 