American Mineralogist Crystal Structure Database

1 matching records for this search.

Pyrosmalite-(Fe)
Download hom/pyrosmalitefe.pdf
Yang H, Downs R T, Yang Y W, Allen W H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=7
Acta Crystallographica E68 (2011) i7-i8
Pyrosmalite-(Fe), Fe8Si6O15(OH,Cl)10
Locality: Burguillos del Cerro, Badajos, Spain
Note: sample rruff.info/R050158
_database_code_amcsd 0018558
13.3165 13.3165 7.0845 90 90 120 P-3m1
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Fe1       0       0      0      .01547  .0118  .0118  .0229 .00589       0       0
Fe2  .25510       0      0      .01193 .01001 .00849 .01679 .00424  .00094  .00188
Fe3      .5       0      0      .01004 .00893  .0089  .0123 .00444  .00070  .00141
Fe4  .50261 .251306 .01962      .00953 .00747 .00783 .01318 .00373  .00033  .00016
Si1  .43696  .10405 .62679      .00674  .0067  .0056 .00817 .00325 -.00031 -.00047
O1   .34125       0     .5       .0126  .0101  .0098  .0178  .0049  -.0028  -.0056
O2   .56373  .12746  .5610       .0113  .0089  .0146  .0122  .0073   .0002   .0005
O3   .43070  .21535  .5580       .0122  .0176  .0094  .0124  .0088  -.0015  -.0008
O4   .41964  .08283 .84971       .0100  .0105  .0116  .0084  .0060   .0004   .0013
Cl1  .16942  .08471  .7741 .619  .0189  .0153  .0195  .0205  .0076  -.0003 -.00016
OH1   .1647   .0824  .8785 .381  .0133   .018  .0133   .010  .0090  -.0013  -.0007
Oh2  .33476  .16738  .1306       .0129  .0128  .0130  .0130  .0064   .0030   .0015
Oh3  .58147  .16295  .1443       .0106  .0114  .0127  .0082  .0063   .0006   .0013
Oh4     1/3     2/3  .1263       .0111  .0109  .0109  .0117  .0054       0       0
Wat   .1055   .1055     .5 .147   .069
H1     .334   .1671   .255        .030
H2    .5810    .162   .264        .030
H3      1/3     2/3   .271        .030
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