American Mineralogist Crystal Structure Database

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Versiliaite
Download hom/versiliaite.pdf
Mellini M, Merlino S
Download am/vol64/AM64_1235.pdf
American Mineralogist 64 (1979) 1235-1242
Versiliaite and apuanite: Derivative structures related to schafarzikite
_database_code_amcsd 0000750
8.492 8.326 11.938 90 90 90 Pbam
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe(1) .3084 .3193     0 .75 0.0042 0.0054 0.0015 0.0021      0      0
Sb(1) .3084 .3193     0 .25 0.0042 0.0054 0.0015 0.0021      0      0
Fe(2)     0    .5 .3752     0.0007 0.0013 0.0007      0      0      0
Fe(3)     0    .5 .1239 .75 0.0010 0.0010 0.0009 0.0003      0      0
Zn(3)     0    .5 .1239 .25 0.0010 0.0010 0.0009 0.0003      0      0
Sb(1) .1711 .1671 .2450 .90 0.0006 0.0005 0.0007 0.0003 -.0002 0.0000
As(1) .1711 .1671 .2450 .10 0.0006 0.0005 0.0007 0.0003 -.0002 0.0000
Sb(2) .3303 .3292    .5 .90 0.0006 0.0015 0.0010 0.0004      0      0
As(2) .3303 .3292    .5 .10 0.0006 0.0015 0.0010 0.0004      0      0
S        .5    .5     0 .80 0.0019 0.0032 0.0035 -.0005      0      0
O(1)  .3610 .0993    .5     0.0016 0.0015 0.0022 0.0007      0      0
O(2)  .4003 .1360 .2438     0.0012 0.0013 0.0019 0.0005 -.0001 0.0007
O(3)  .3234 .8176 .3764     0.0030 0.0029 0.0020 -.0004 -.0008 0.0011
O(4)  .1855 .3428 .1357     0.0016 0.0032 0.0015 0.0021 -.0001 -.0004
O(5)  .6070 .8915     0     0.0015 0.0020 0.0017 0.0011      0      0
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