Ma H, Bish D L, Wang H W, Chipera S J
American Mineralogist 94 (2009) 622-625
Determination of the crystal structure of sanderite, MgSO4*2H2O,
by X-ray powder diffraction and the charge flipping method
Locality: synthetic
Note: x-coordinate of O4 changed by the author
_database_code_amcsd 0004915
8.8932 8.4881 12.4401 90 90 90 P2_12_12_1
atom x y z Biso
Mg1 .7870 .4648 .2552 .8
Mg2 .2976 .5404 .4961 .8
S1 .1435 .5737 .2508 .4
S2 .6641 .5816 .4898 .4
O1 .1492 .7382 .2126 1.2
O2 .2656 .5499 .3322 1.2
O3 .1676 .4614 .1597 1.2
O4 -.0012 .5415 .3076 1.2
O5 .7345 .4598 .4171 1.2
O6 .7578 .7231 .4804 1.2
O7 .6596 .5135 .5978 1.2
O8 .5089 .6171 .4561 1.2
Wat1 .5628 .4006 .2188 1.2
Wat2 .7150 .6989 .2377 1.2
Wat3 .3569 .3027 .4753 1.2
Wat4 .0691 .4779 .5115 1.2
American Mineralogist 94 (2009) 1071-1074
Structure determination of the 2.5 hydrate MgSO4 phase by simulated annealing
_database_code_amcsd 0004970
18.8636 12.3391 8.9957 90 94.568 90 C2/c
Mg1 .3663 .6193 .4811 .8
Mg2 .3977 .1199 .4053 .8
S1 .3361 .3743 .3426 .4
S2 .5733 .1307 .4527 .4
O1 .3590 .4565 .4505 1.2
O2 .3332 .4139 .1879 1.2
O3 .2654 .3307 .3691 1.2
O4 .3839 .2801 .3520 1.2
O5 .6258 .2157 .5059 1.2
O6 .5012 .1762 .4458 1.2
O7 .5814 .0429 .5619 1.2
O8 .5897 .0789 .3144 1.2
Wat1 .4736 .6027 .5573 1.5
Wat2 .3919 .6347 .2593 1.5
Wat3 .2592 .6438 .4233 1.5
Wat4 .2882 .0798 .3748 1.5
Wat5 .3843 .1497 .6302 1.5
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Total number of retrieved datasets: 2 View in amc, download in amc
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