American Mineralogist Crystal Structure Database

2 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
Locality: Alcaparrosa mine, Antofagasta, Chile
_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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Parabutlerite
Download hom/parabutlerite.pdf
Plasil J, Petricek V, Majzlan J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=73&spage=856
Acta Crystallographica B73 (2017) 856-862
A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O
Locality: Alcaparrosa mine, Chile
_database_code_amcsd 0021044
7.2226 7.393 20.0542 90 90 90 P2_12_12_1
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1     .2889 .24977 .62484 .0150  .0150  .0061  .0239  .0019 -.0008 -.0016
Fe2     .2884 .74975 .62538 .0133  .0110  .0069  .0220  .0001 -.0007  .0000
S1     .65847  .0007 .62343 .0117  .0103  .0106  .0141  .0005  .0010 -.0042
S2    -.07744  .5008 .62766 .0149  .0102  .0159  .0187 -.0004  .0023  .0055
O1      .5477  .1590  .6368  .037   .012   .010   .088   .007  -.014  -.011
O2      .0330  .6617  .6113  .027   .022   .009   .051  -.002  -.012  -.003
OH3     .1935  .9969 .62704 .0190  .0142  .0049  .0377  -.001  .0026   .011
Wat4    .3198  .7680  .5233  .052   .084   .044   .027  -.004   .031  -.014
O5     -.2392  .4982 .58559 .0361  .0200  .0237   .064   .004 -.0198  -.001
O6      .8170  .9966  .6664 .0444   .039  .0215   .073   .000  -.038  -.014
Wat7    .2675  .7370  .7261  .046   .061   .058   .017  -.018  -.009   .012
OH8     .3857  .5006  .6253 .0406  .0156  .0059   .100   .000 -.0072  -.023
Wat9    .2655  .2581  .7287  .049   .062   .058   .026   .005  -.009  -.010
O10     .0343  .3368  .6133  .027   .006   .011   .064   .001  -.003  -.006
O11    -.1230  .5009 .69739 .0701   .078   .105   .028   .021   .021  -.001
O12     .5441  .8349  .6343  .037   .012   .010   .089   .001   .000   .003
O13     .7096  .9932 .55450  .086   .117   .116   .026   .019   .040   .010
Wat14   .3148  .2398  .5236  .057   .072   .066   .033  -.012   .024  -.019
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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