RE: CIF for Pyrrhotite 4C

2007-02-02 Thread AlanCoelho
Hi Doug You can add new setting in the file SGCOM5.CPP where entries are in the form of computer adapted symbols by Uri Shmueli, Acta Cryst. (1984). A40, 559-567. I am probably wrong but my guess for F12/d1 is FMCI1A000P2D003 where I used the a+b face-diagonal rotation matrix of 2D, c

CIF for Pyrrhotite 4C

2007-02-02 Thread Allen, Douglas R.
Can anyone help me with a CIF file for Pyrrhotite 4C. The CIF output from ICSD #42491 gives SG 15 setting F12/d1 which is not recognized by TOPAS. I found an entry in the ICDD database from the Linus Pauling file which shows the setting A12/A1 but when the CIF file is exported the same unrecogni

line-braodening in HCP crystals

2007-02-02 Thread alortiz
Dear all: Recently we performed the XRD analysis of a material that has a HCP crystal structure. My question is if based on the peak broadening of {300} planes we have indeed estimated the crystal size along <210> direction since <210> is perpendicular to {300} for HCP crystals. Any suggestion? T