American Mineralogist Crystal Structure Database

1 matching records for this search.

Parabutlerite
Download hom/parabutlerite.pdf
Borene J
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 185-189
Structure cristalline de la parabutlerite
_database_code_amcsd 0012131
7.38 20.13 7.22 90 90 90 Pmnb
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   -.0001 .1247 .7885  .0025  .0011   .005  .0001  .0004  .0001
S1      .25 .1226 .4236  .0064  .0009  .0039      0      0  .0006
S2      .75 .1269 .1587  .0041  .0006  .0046      0      0  .0002
O1    .0877 .1383 .5344  .0039  .0026  .0082  .0001  .0003  .0011
O2   -.0884 .1142 .0479  .0045  .0051  .0062  .0015  .0018  .0018
O3      .25 .1644 .2617  .0078  .0042  .0071      0      0  .0036
O4      .25 .0517 .3833  .0489  .0019  .0265      0      0  .0041
O5      .75 .0824 .3160  .0073   .003  .0148      0      0  .0042
O6      .75 .1970 .2099  .0431  .0012  .0472      0      0  .0059
OH1     .25 .1254 .8814  .0035  .0046  .0067      0      0  .0006
OH2     .75 .1231 .6957  .0034  .0019  .0052      0      0  .0003
Wat1  .0105 .0226 .7671  .0281  .0009  .0288  .0062  .0062  .0016
Wat2 -.0134 .2265 .8209  .0183  .0012  .0338  .0013  .0012  .0029
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