Hexahydrite
Zalkin A, Ruben H, Templeton D H
Acta Crystallographica 17 (1964) 235-240
The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate
Locality: synthetic
_database_code_amcsd 0009280
10.110 7.212 24.41 90 98.30 90 C2/c
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0       .0045  .0086 .00087  .0002 -.0001 -.0003
Mg2      0 .9425   .25       .0046  .0072 .00078      0  .0002      0
S    .8659 .4490 .1241       .0046  .0072 .00098  .0000 -.0001 -.0001
O1   .7747 .5986 .1361       .0064  .0103 .00124  .0023  .0004 -.0001
O2   .9834 .4442 .1665       .0079  .0107 .00176  .0010 -.0017 -.0005
O3   .9069 .4854 .0692       .0081  .0120 .00132  .0000  .0010 -.0001
O4   .7961 .2688 .1211       .0068  .0085 .00154 -.0019 -.0004  .0006
O5   .5852 .7125 .0483       .0067  .0129 .00136  .0017 -.0005 -.0012
O6   .5393 .3162 .0640       .0087  .0175 .00190 -.0051 -.0015  .0026
O7   .3126 .5464 .0231       .0054  .0216 .00167  .0007  .0003 -.0021
O8   .8887 .1486 .2820       .0067  .0094 .00126 -.0002  .0006 -.0007
O9   .8884 .7405 .2811       .0061  .0113 .00160 -.0005  .0005  .0012
O10  .8598 .9435 .1799       .0103  .0103 .00107 -.0008 -.0008  .0002
H1    .643  .698  .076  1.9
H2    .539  .806  .045  5.2
H3    .495  .232  .060  1.9
H4    .614  .340  .093  5.7
H5    .304  .650  .055  5.6
H6    .271  .544  .014  1.9
H7    .840  .092  .312  4.3
H8    .937  .235  .296  1.3
H9    .940  .651  .291  5.9
H10   .820  .733  .275  3.1
H11   .849  .831  .164  2.6
H12   .847  .033  .164  2.0