American Mineralogist Crystal Structure Database

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Mallestigite
Download hom/mallestigite.pdf
Mereiter K, Walter F, Bojar H P
 
Mineralogy and Petrology 117 (2023) s00710-023-00837-y
Mallestigite, Pb3Sb(SO4)(AsO4)(OH)63H2O, from the type locality - new data,
crystal structure, and structural relationships
Locality: Neufinkenstein-Grabanz district, Mallestiger Mittagskogel, Carinthia, Austria
_database_code_amcsd 0021225
8.9326 8.9326 11.1044 90 90 120 P6_3
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Pb   .15901 .33705 .25623     .01847 .02109 .01482 .01702 .00711 -.00047 -.00072
Sb        0      0      0     .00910 .00969 .00969  .0079 .00485       0       0
S       1/3    2/3  .0445      .0148  .0140  .0140  .0165  .0070       0       0
As      1/3    2/3 .49853      .0127  .0123  .0123  .0136 .00615       0       0
O1      1/3    2/3  .1799      .0182   .019   .019   .017  .0095       0       0
O2    .1888  .5024  .0038 .87   .036   .033   .027   .037   .008   -.007   -.017
O2a    .308   .501   .003 .13   .032
O3      1/3    2/3  .6476      .0170   .021   .021   .009  .0104       0       0
O4    .2244  .4631  .4500      .0222   .029   .014   .016   .005    .001  -.0008
O5h   .2046  .1064  .1047      .0169   .011   .021   .015   .006   -.001    .000
O6h   .1991  .1001  .3868      .0137   .009   .016   .012   .004   .0014   .0007
O7w   .5171  .4792  .2758      .0233   .025   .029   .023   .018   .0016   -.001
H5h    .288   .151   .062       .018
H6h    .292   .139   .418       .018
H7wa   .568   .449   .232       .028
H7wb   .552   .480  .3422       .028
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