American Mineralogist Crystal Structure Database

2 matching records for this search.

Hexahydrite
Download hom/hexahydrite.pdf
Zalkin A, Ruben H, Templeton D H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=17&spage=235
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
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Hexahydrite
Download hom/hexahydrite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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