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Databases
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On-line databases are essential for effective identification of unknowns, for retrieving analogs to new materials and for standard references.  Two databases are currently available in the X-ray Diffraction Facility.  The NIST Crystal Data File contains crystallographic and chemical data on more than 200,000 entries.   The ICDD Powder Diffraction File is the largest powder database, containing over 70,000 experimental patterns compiled by the ICDD since 1941, as well as more than 42,000 calculated patterns from the Inorganic Crystal Structure Database. 

Features

NIST Crystal Data File (Data from single crystal structures)
Over 200,000 entries
Variety of Boolean Search types, including unit cell or functional groups
Chemical Name and Formula
Space Group
Unit Cell Parameters
Reduced Cell and Volume
Literature References

 

ICDD Powder Diffraction File (Data from experiment and calculated patterns)
Over 110,000 entries
Variety of Boolean Search types, including chemical formula
Interplanar (d) spacings or two-theta values and their relative intensities
Miller Indices
Chemical Name and Formula
Space Group
Unit Cell Parameters
Physical Data
Experimental Parameters
Literature References
 

 

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