American Mineralogist Crystal Structure Database

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Pickeringite
Download hom/pickeringite.pdf
Quartieri S, Triscari M, Viani A
 
European Journal of Mineralogy 12 (2000) 1131-1138
Crystal structure of the hydrated sulphate pickeringite (MgAl2(SO4)4.22H2O):
X-ray powder diffraction study
_database_code_amcsd 0006848
6.1844 24.2715 21.2265 90 100.326 90 P2_1/c
atom       x     y      z occ
Mg     .3617 .5955  .0824 .93
Mn     .3617 .5955  .0824 .07
Al1    .4301 .6141  .4240
Al2    .6996 .3417  .1983
S1     .0887 .2442  .5241
S2     .9799 .4623  .3886
S3     .1459 .1957  .2554
S4     .1596 .4735  .1022
O1     .1620 .2171  .4685
O2     .0390 .3032  .5060
O3    -.1047 .2196  .5413
O4     .2798 .2426  .5773
O5     .0335 .4340  .3310
O6     .9274 .5210  .3722
O7     .1796 .4587  .4379
O8     .7881 .4370  .4082
O9     .1509 .1821  .3232
O10    .2149 .2543  .2491
O11   -.0803 .1899  .2197
O12    .3039 .1616  .2288
O13    .1632 .4388  .1609
O14    .2281 .4365  .0533
O15   -.0656 .4921  .0812
O16    .3108 .5194  .1156
Wat1   .6861 .5911  .1187
Wat2   .3388 .6314  .1670
Wat3   .4270 .6667  .0405
Wat4   .0497 .6116  .0508
Wat5   .3912 .5589 -.0006
Wat6   .4861 .5548  .3687
Wat7   .1246 .6174  .3866
Wat8   .5764 .6622  .3741
Wat9   .3407 .6758  .4702
Wat10  .7324 .6062  .4596
Wat11  .3432 .5602  .4802
Wat12  .5275 .3426  .1147
Wat13  .9699 .3185  .1765
Wat14  .5918 .2680  .2072
Wat15  .8348 .3422  .2873
Wat16  .4137 .3626  .2124
Wat17  .7580 .4184  .1884
Wat18  .7474 .2636  .3532
Wat19  .2687 .5329  .2712
Wat20  .6925 .5153  .2283
Wat21  .3875 .4069  .3387
Wat22  .4065 .2859  .4173
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