American Mineralogist Crystal Structure Database

1 matching records for this search.

Perryite
Download hom/perryite.pdf
Marsh R E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7673&volume=50&spage=450
Acta Crystallographica A50 (1994) 450-455
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Locality: synthetic
_database_code_amcsd 0009330
6.6400 6.640 37.9819 90 90 120 R-3c
atom      x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni1   .33167 .41760 .05226 .97 .0069  .0066  .0114  .0001  .0026  .0005  .0007
Fe1   .33167 .41760 .05226 .03 .0069  .0066  .0114  .0001  .0026  .0005  .0007
Ni2   .33764 .03347 .01744 .97 .0047  .0060  .0074 -.0002  .0026 -.0011  .0014
Fe2   .33764 .03347 .01744 .03 .0047  .0060  .0074 -.0002  .0026 -.0011  .0014
Ni3        0      0 .21863 .97 .0056  .0086  .0086 -.0003  .0043      0      0
Fe3        0      0 .21863 .03 .0056  .0086  .0086 -.0003  .0043      0      0
Ni4        0      0 .05959 .97 .0056  .0086  .0086 -.0004  .0043      0      0
Fe4        0      0 .05959 .03 .0056  .0086  .0086 -.0004  .0043      0      0
Si1  -.31572      0    .25 .79 .0056  .0079  .0081  .0007  .0040      0      0
P1   -.31572      0    .25 .21 .0056  .0079  .0081  .0007  .0040      0      0
Si2        0      0 .15823 .79 .0043  .0077  .0077 -.0026  .0038      0      0
P2         0      0 .15823 .21 .0043  .0077  .0077 -.0026  .0038      0      0
Si3        0      0      0 .79 .0022  .0054  .0054 -.0041  .0027      0      0
P3         0      0      0 .21 .0022  .0054  .0054 -.0041  .0027      0      0
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