The base centered monoclinic Space group of Bi4Ti3O12 (as per JCPDF # 01-074-7113 (2004)) is B1a1 (7). This is non-convention setting of S.G. P1c1 (7). I want to test my XRD data with S.G. B1a1 but unable to run pcr file with this S.G. in FullProf software. I have tried user defined option with following symmetry operators (from link http://img.chem.ucl.ac.uk/sgp/large/007jy2.htm).
A portion of modified pcr file is
!
B 1 a 1
At my first sight, the s.g. B1a1 looks like as a non-standard setting of s.g. Cc (9), rather than Pc (7). But, may be, it is not correct.
In any event, not every of possible non-standard settings could be applied in each specific crystallographic software. Try to apply standard s.g. Pc (or Cc). If it is successful, then you can convert the resulting indexes and u.c. to s.g. B1a1 for latter comparison. Matrix for transformation you can find here: http://arxiv.org/pdf/0710.4613.pdf .
Hello, the FullProf will probably not accept the non-standard setting, but ICSD converts non-standard cases (in your case to P1c1) in automatic mode (see attached initial and transformed results).
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