ICSD
The Inorganic Crystal Structure Database
www.fiz-karlsruhe.de

This database contains crystal structure information for inorganic compounds. In addition to the crystal cell and chemistry, all the atom locations are given. Thus, from this information, it is possible to calculate the powder diffraction pattern that can then be compared with experimental data.

Compound
ICSD file (in txt format)
Ti3SiC2
Code 25762
Al5C3N
Code 26859
Al5C3N
Code 36303
Al5C3N
Code 14398
Al6C3N2
Code 14399
Al7C3N3
Code 14400
Al8C3N4
Code 14401
Al4O4C
Code 18204
Al2OC
Code 35081 (Warning: incorrect data!)

PDF JCPDS - ICDD
Powder Diffraction File
Joint Committee on Powder Diffraction Standards - International Center for Diffraction Data

www.icdd.com

The Powder Diffraction File (PDF) contains diffraction data primarily in the form of tables of d's and I's coupled with derived crystallographic information and documentation on the sample used, the experimental condition, and on source of information.
PDF-1 is the first computer-readable version of the PDF contained only the d's, I's, the chemical formula and name, and the PDF number.
PDF-2 contains crystal unit cell and the Miller indices, the symmenty, some physical property information, and the reference.

Compound
PDF-1 file (in txt format) PDF-2 file (in txt format)
Ti3SiC2 40-1132 under construction
Al2OC 9-269  
Al4O4C 14-630  
Al4SiC4 17-657  
Al4SiC4 17-658  

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