Bukovskyite
Majzlan J, Lazic B, Armbruster T, Johnson M B, White M A, Fisher R A,
Plasil J, Loun J, Skoda R, Novak M
Journal of Mineralogical and Petrological Sciences 107 (2012) 133-148
Crystal structure, thermodynamic properties, and paragenesis of bukovskyite,
Fe2(AsO4)(SO4)(OH)*9H2O
Locality: GroBvoigtsberg, Germany
_database_code_amcsd 0019196
7.549 10.305 10.904 115.136 99.798 92.864 P-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   .30234 .79994 .27731  .0132  .0119  .0164  .0104  .0029  .0014  .0053
Fe2   .13319 .81929 .57647  .0130  .0122  .0153  .0123  .0026  .0021  .0070
As1  -.26867 .88420 .45416 .01267  .0111  .0142  .0124  .0029  .0012  .0060
S1     .7088 .79879 .91584  .0181  .0178  .0203  .0162  .0033  .0020  .0086
O1    -.1317  .7815  .4982  .0151  .0099   .017   .023  .0053  .0012  .0141
O2     .1969  .7349  .3934  .0169   .021   .013   .015 -.0022  .0068  .0044
O3    -.1588  .9788  .3901  .0146   .016   .017   .012  .0015  .0029  .0069
O4     .3538  .8522  .1224  .0204   .020   .026   .022  .0071  .0091  .0149
O5    -.4449  .7730  .3309  .0161  .0098   .016   .018  .0033 -.0002  .0047
O6     .7852  .8967  .8667  .0250   .024   .029   .031  .0051   .011   .019
O7     .6669  .8827 1.0526  .0276   .022   .035   .025  .0071   .014   .008
O8     .2610  .5896  .1167  .0224   .029   .018   .018  .0020  .0089  .0036
O9    -.3408  .9952  .5960  .0158   .014   .017   .018  .0047  .0048  .0081
O10    .0937  .8825  .7740  .0217   .024   .028   .014  .0006  .0074  .0089
O11    .5440  .7100  .8164  .0313   .032   .032   .027  -.009  -.011   .019
O12    .0376  .8139  .1957  .0265   .018   .041   .014   .013 -.0004   .007
O13    .4048  .8529  .6692  .0246   .014   .034   .033  .0000  -.001   .025
O14    .8418  .7027  .9297  .0254   .031   .028   .019  .0135   .004  .0110
O15    .1354  .6251  .5745  .0192   .025   .017   .021  .0059  .0107  .0117
OW1   -.3540  .4932  .1378  .0290   .029   .028   .029   .003   .007   .012
OW2    .0205  .5271  .7440  .0255   .029   .023   .026   .004   .008   .012
OW3   -.3179  .5768  .5548  .0542   .070   .037   .075   .019   .049   .028
H4      .311   .926   .119   .050
H4A     .459   .845   .092   .050
HW11   -.437   .431   .149   .080
HW12   -.385   .580   .177   .080
HW21    .130   .518   .782   .080
HW22   -.029   .593   .810   .080
H12    -.007   .775   .111   .050
H12A   -.040   .857   .248   .050
H15     .207   .559   .532   .050
H15A    .081   .601   .631   .050
H10    -.010   .878   .802   .050
H10A    .164   .959   .833   .050
H8      .308   .571   .042   .050
H8A     .249   .513   .128   .050
HW31   -.390   .586   .608   .080
HW32   -.253   .649   .608   .080
H2      .140   .662   .354   .050
H13     .495   .893   .643   .050
H13A    .437   .796   .703   .050