Polyhalite
Bindi L
Acta Crystallographica E61 (2005) i135-i136
Reinvestigation of the crystal structure of polyhalite, K2Ca2Mg(SO4)4*2H2O
_database_code_amcsd 0010450
6.975 6.984 8.899 104.01 101.19 114.10 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)
K     .52448 .78828  .57178 .0229  .0199  .0244  .0227  .0100  .0070  .0067
Ca    .12539 .36459 -.25711 .0146  .0132  .0144  .0162  .0067  .0049  .0052
Mg         0      0       0 .0153  .0140  .0152  .0138  .0065  .0030  .0028
S1    .31293 .56434  .14152 .0125  .0121  .0127  .0125  .0065  .0044  .0028
S2   -.05661 .18567  .35769 .0131  .0144  .0125  .0124  .0073  .0045  .0030
O1    -.0370  .0082   .2369 .0174  .0246  .0158  .0138  .0126  .0066  .0031
O2     .1284  .3354   .0387 .0220  .0187  .0153  .0239  .0065  .0019  .0007
O3     .4986  .5540   .2415 .0202  .0186  .0232  .0172  .0114  .0033  .0038
O4    -.2344  .3100   .7517 .0189  .0172  .0203  .0156  .0086  .0057  .0010
O5     .3782  .6721   .0222 .0216  .0253  .0211  .0200  .0115  .0094  .0077
O6    -.1728  .2786   .2687 .0188  .0213  .0190  .0186  .0129  .0045  .0065
O7    -.1778  .0844   .4601 .0211  .0229  .0223  .0219  .0107  .0118  .0108
O8     .1677  .3610   .4680 .0223  .0168  .0198  .0191  .0052  .0003 -.0002
Wat9   .3107  .0432   .0829 .0152  .0132  .0135  .0244  .0083  .0103  .0090