American Mineralogist Crystal Structure Database

1 matching records for this search.

Melanterite
Download hom/melanterite.pdf
Fronczek F R, Collins S N, Chan J Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=57&spage=26
Acta Crystallographica E57 (2001) i26-i27
Refinement of ferrous sulfate heptahydrate (melanterite) with
low-temperature CCD data
Note: T = 120 K
Locality: synthetic
_database_code_amcsd 0010353
13.9969 6.4803 11.0211 90 105.5959 90 P2_1/c
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe1        0     .5     .5 .01048 .01138 .01003 .01074  .00081 .00421  .00047
Fe2       .5     .5      0 .01082 .01027 .01242 .00948 -.00049 .00216 -.00016
S1   .225907 .47057 .17436 .00979 .00908 .01007 .01016 -.00007 .00246 -.00041
O1    .20391 .46976 .03470 .01296  .0138  .0148  .0104  -.0019  .0033  -.0015
O2    .13563 .53433 .21052 .01308  .0120  .0146  .0139   .0024  .0057   .0016
O3    .30711 .61746 .22568 .01529  .0131  .0163  .0161  -.0040  .0032  -.0049
O4    .25504 .26083 .22414 .01460  .0150  .0113  .0167   .0024  .0028   .0020
O1W   .11878 .39585 .43692  .0220  .0270  .0233  .0205   .0136  .0146   .0112
H11    .1457   .284  .4568   .035
H12    .1220   .439   .369   .036
O2W  -.09794 .45678 .31502 .01677  .0174  .0137  .0172   .0001  .0014  -.0011
H22   -.1139   .332  .2951   .042
H24   -.1478   .529   .295   .036
O3W   .02900 .79563 .43354 .01622  .0148  .0120  .0191  -.0013 -.0001   .0035
H31    .0790   .876  .4570   .028
H32   -.0120   .874   .383   .042
O4W   .47869 .45429 .17987 .01569  .0141  .0217  .0111   .0004  .0031   .0003
H41    .4297   .511   .193   .033
H47    .5233   .460   .243   .031
O5W   .56928 .78270 .06196 .01697  .0186  .0176  .0134  -.0043  .0022   .0000
H54    .6209   .784   .129   .036
H57    .5860   .847   .010   .045
O6W   .64607 .35354 .05669 .01744  .0132  .0203  .0181  -.0007  .0029   .0072
H61    .6967   .414  .0416   .033
H63    .6655   .280   .129   .047
O7W   .36626 .00643 .11265 .01654  .0177  .0130  .0182  -.0004  .0036  -.0011
H74    .3234   .070   .134   .039
H76    .3428  -.107  .0893   .041
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