Epsomite
Ferraris G, Jones D W, Yerkess J
Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1973 (1973) 816-821
Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction
Locality: synthetic
_database_code_amcsd 0021006
11.868 11.996 6.857 90 90 90 P2_12_12_1
atom     x      y      z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg   .4226  .1060  .0392 .01114 .01671 .01722  .00266 -.00076  .00126
S    .7259  .1835  .4909 .01051 .02330 .01114  .00316 -.00126 -.00240
O1   .6857  .0747  .4266 .05129 .01975 .03875 -.01051 -.00531 -.00050
O2   .8498  .1869  .4835 .01393 .03989 .02938  .00228  .00012  .00228
O3   .6884  .2063  .6908 .02761 .05192 .02558 -.00835  .00202 -.00785
O4   .6807  .2722  .3617 .02115 .02900 .03280  .00038 -.00607  .00620
O5   .2651  .1743  .0026 .02178 .03634 .02824  .01076 -.00076 -.00316
O6   .4724  .2478  .1990 .01608 .02533 .02419 -.00354  .00114 -.00671
O7   .4696  .1775 -.2214 .01874 .03558 .02393 -.00202  .00443  .00633
O8   .5828  .0462  .0787 .02431 .03926 .03533  .01697 -.01190 -.01152
O9   .3760 -.0387 -.1118 .02799 .01937 .02457 -.00531 -.00190 -.00304
O10  .3621  .0342  .2929 .02457 .03141 .02976  .00012  .00531  .00633
O11  .4908  .4375  .9383 .03786 .02583 .03229 -.00025  .00139  .00531
H1   .2346  .2215  .1058 .02748 .05053 .03077  .00975  .00367 -.00709
H2   .2377  .1990 -.1222 .02900 .05294 .02596  .01101 -.00468  .00228
H3   .4216  .2719  .3044 .02634 .04128 .04154  .00139  .00949 -.01367
H4   .5478  .2518  .2596 .02115 .03533 .03951 -.00164 -.00506 -.00949
H5   .4236  .2222 -.3062 .02647 .04090 .04128 -.00354 -.00228  .01152
H6   .5479  .1842 -.2569 .01988 .03850 .02799 -.00101  .00443 -.00190
H7   .6271  .0574  .1934 .03482 .04521 .03748  .00342 -.00848 -.00329
H8   .6139 -.0176  .0170 .06775 .08105 .05851  .05104 -.01545 -.03280
H9   .3668 -.1065 -.0357 .04166 .02545 .05382  .00266 -.00569  .00455
H10  .4217 -.0541 -.2239 .04420 .04280 .04470  .00114  .00506 -.00519
H11  .2840  .0262  .3207 .03292 .05332 .04787 -.01418  .01063  .01253
H12  .4067  .0001  .3926 .05800 .04432 .02761  .00329 -.00266  .01089
H13  .4252  .4834  .9562 .04521 .04610 .04483  .00531 -.00050  .00291
H14  .4746  .3681  .0014 .05230 .03546 .07396 -.00861  .02634  .00088