Hexahydrite
Batsanov A S
Acta Crystallographica C56 (2000) e230-e231
Magnesium sulfate hexahydrate at 120 K
Note: T = 120 K
Locality: synthetic
_database_code_amcsd 0021004
9.975 7.186 24.267 90 98.78 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mg1      .5     .5      0  .0127  .0118  .0122  .0135 -.0001  -.0001  -.0007
Mg2       0 .93896    .25  .0116  .0113  .0115  .0116      0   .0004       0
S    .86905 .44642 .12308 .01197  .0123  .0101  .0126 .00030 -.00082 -.00036
O1   .77516 .59334 .13601  .0151  .0160  .0134  .0158  .0027   .0017  -.0007
O2   .98840 .44126 .16642  .0197  .0196  .0144  .0218  .0013  -.0076  -.0014
O3   .91037 .48866 .06833  .0161  .0175  .0145  .0169  .0002   .0045   .0003
O4   .79963 .26483 .11916  .0154  .0171  .0114  .0169 -.0015   .0003   .0010
O5   .58737  .7159 .04683  .0175  .0152  .0162  .0193  .0029  -.0030  -.0046
H1     .643   .694  .0748   .028
H2     .549   .802  .0558   .024
O6   .53553  .3247 .06722  .0232  .0188  .0214  .0258 -.0080  -.0079   .0100
H3     .501   .227  .0681   .038
H4     .611   .309  .0868   .026
O7   .31152  .5521 .02144  .0213  .0143  .0275  .0213  .0016   .0005  -.0110
H5     .302   .623  .0456   .030
H6     .243   .532  .0008   .055
O8   .88639  .1442 .28192  .0146  .0146  .0135  .0158 -.0018   .0031  -.0021
H7     .841   .106  .3027   .014
H8     .924   .239  .2957   .036
O9   .88403  .7415 .28058  .0171  .0137  .0158  .0209 -.0011  -.0003   .0054
H9     .914   .650  .2958   .034
H10    .810   .720  .2715   .031
O10  .85847  .9405 .17928  .0169  .0219  .0126  .0141 -.0008  -.0043   .0009
H11    .838   .845  .1627   .030
H12    .840   .033  .1592   .022