Space Group Information Software and Databases

Various software exists that outputs information on space groups. It is best to use two or more of these programs in tandem to check for consistency of results (Table 17.14). 

AXES H. Mandar and T. Vajakas, AXES a software toolbox in powder diffraction. Newsletter Int. Union Crystallogr., Commission Powder Diffr. 1998, 20, 31 32 and AXES1.9 new tools for estimation of crystallite size and shape by Williamson Hall analysis, H. Mandar, J. Felsche, V. Mikli and T. Vajakas, J. Appl. Crystallogr., 1999, 32, 345 350 Dicvol, Ito, Treor 

CMPR CMPR, Brian Toby, NIST Center for Neutron Research, 100 Bureau Drive, Stop 8562, National Institute of Standards and Technology, Gaithersburg, MD, 20899 8562, USA Dicvol, Ito, Treor 

Crysfire The Crysfire 2002 System for Automatic Powder Indexing User s Manual, R. Shirley, (2002) The Lattice Press, 41 Guildford Park Avenue, Guildford, Surrey GU2 7NL, England Dicvol91, FJZN, Ito 12, Kohl/TMO, Lzon, Taup, Treor90 

Powder v4 PowderV2 a suite of applications for powder X ray diffraction calculations, N. Dragoe, J. Appl. Crystallogr., 2001, 34, 535 Dicvol, Ito, Treor 

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Table 17.14 Available space group information software and databases.

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