COL  ICSD Collection Code 16595
 DATE Recorded Jan 1, 1980; updated Jun 26, 1998
 NAME Magnesium sulfate heptahydrate
 MINR Epsomite
 FORM Mg S O4 (H2 O)7
      = H14 Mg O11 S
 TITL On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of 
      the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)
 REF  Acta Crystallographica (1,1948-23,1967)
      ACCRA 17 (1964) 1361-1369
 AUT  Baur W H
 CELL a=11.868 b=11.996 c=6.857 à=90.0 á=90.0 ç=90.0
      V=976.2 D=1.68 Z=4
 SGR  P 21 21 21    (19) - orthorhombic
 CLAS 222   (Hermann-Mauguin) - D2  (Schoenflies)
 PRS  oP108
 ANX  ABX11
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Mg     1  2.000    4a  0.4229  0.1063  0.034
      S      1  6.000    4a  0.7266  0.1839  0.4905
      O      1 -2.000    4a  0.6853  0.075   0.4279
      O      2 -2.000    4a  0.8506  0.1868  0.4821
      O      3 -2.000    4a  0.6884  0.2063  0.6904
      O      4 -2.000    4a  0.6808  0.2716  0.3605
      OH2    5 -2.000    4a  0.2655  0.1746  0.0038
      OH2    6 -2.000    4a  0.4716  0.2478  0.1992
      OH2    7 -2.000    4a  0.4691  0.1758  0.7796
      OH2    8 -2.000    4a  0.5828  0.0463  0.0773
      OH2    9 -2.000    4a  0.3761  0.962   0.8889
      OH2   10 -2.000    4a  0.3622  0.0342  0.2907
      OH2   11 -2.000    4a  0.4916  0.4377  0.9384
      H      1  1.000    4a  0.244   0.229   0.105
      H      2  1.000    4a  0.234   0.206   0.888
      H      3  1.000    4a  0.435   0.27    0.33
      H      4  1.000    4a  0.533   0.246   0.268
      H      5  1.000    4a  0.419   0.234   0.664
      H      6  1.000    4a  0.549   0.188   0.755
      H      7  1.000    4a  0.632   0.055   0.212
      H      8  1.000    4a  0.6     0.983   0.025
      H      9  1.000    4a  0.356   0.906   0.961
      H     10  1.000    4a  0.428   0.946   0.768
      H     11  1.000    4a  0.281   0.033   0.32
      H     12  1.000    4a  0.385   0.008   0.414
      H     13  1.000    4a  0.431   0.492   0.975
      H     14  1.000    4a  0.465   0.37    0.008
 WYCK a13
ÿ
 TF   Atom   á(1,1)  á(2,2)  á(3,3)  á(1,2)  á(1,3)  á(2,3)
      Mg 1    0.0017  0.0021  0.0046  0.0002  0.0000  0.0001
      S  1    0.0017  0.0022  0.0046  0.0000  0.0000  0.0000
      O  1    0.0068  0.0026  0.0135 -0.0020 -0.0020  0.0000
      O  2    0.0018  0.0057  0.0105  0.0004  0.0003  0.0011
      O  3    0.0029  0.0063  0.0070 -0.0020  0.0013 -0.0020
      O  4    0.0032  0.0031  0.0116  0.0003 -0.0010  0.0018
      O  5    0.0025  0.0051  0.0088  0.0016  0.0000 -0.0010
      O  6    0.0020  0.0034  0.0078  0.0000  0.0003 -0.0020
      O  7    0.0028  0.0047  0.0085  0.0000  0.0007  0.0025
      O  8    0.0032  0.0050  0.0111  0.0027 -0.0020 -0.0030
      O  9    0.0039  0.0029  0.0082 -0.0010  0.0000 -0.0010
      O 10    0.0034  0.0047  0.0082  0.0000  0.0010  0.0025
      O 11    0.0055  0.0035  0.0122  0.0004  0.0016  0.0007
 REM  M PDF 36-419
 RVAL 0.057
 TEST At least one temperature factor missing in the paper. (Code 53)