American Mineralogist Crystal Structure Database

1 matching records for this search.

Siderotil
Download hom/siderotil.pdf
Peterson R C, Roeder P L, Zhang Y
Download cm/vol41/CM41_671.pdf
The Canadian Mineralogist 41 (2003) 671-676
The atomic structure of siderotil, (Fe,Cu)SO4.5H2O
_database_code_amcsd 0005844
6.292 10.632 6.072 82.63 110.02 105.19 P-1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
CuM1     0     0     0 .54 .0270  .0275  .0297  .0233  .0073  .0072 -.0006
FeM1     0     0     0 .35 .0270  .0275  .0297  .0233  .0073  .0072 -.0006
ZnM1     0     0     0 .05 .0270  .0275  .0297  .0233  .0073  .0072 -.0006
MgM1     0     0     0 .06 .0270  .0275  .0297  .0233  .0073  .0072 -.0006
FeM2   1/2   1/2     0 .76 .0214  .0205  .0255  .0183  .0066  .0063  .0015
FeM2   1/2   1/2     0 .11 .0214  .0205  .0255  .0183  .0066  .0063  .0015
FeM2   1/2   1/2     0 .13 .0214  .0205  .0255  .0183  .0066  .0063  .0015
S    .0301 .2886 .6519     .0204  .0177  .0254  .0168  .0052  .0046  .0008
O1   .9256 .1519 .7050     .0323   .028   .030   .032   .000   .008   .002
O2   .2628 .3269 .8290     .0300   .024   .031   .027   .005  -.001   .001
O3   .8838 .3748 .6554     .0295   .025   .041   .026   .015   .006  -.003
O4   .0581 .2988 .4177     .0303   .034   .041   .021   .012   .012   .001
Wat5 .8283 .0750 .1585     .0349   .039   .035   .035   .006   .018  -.004
Wat6 .3097 .1173 .1807     .0327   .034   .028   .034   .002   .011  -.002
Wat7 .4765 .4040 .3171     .0316   .030   .043   .021   .009   .009   .006
Wat8 .7603 .4061 .0277     .0328   .029   .047   .028   .020   .009   .000
Wat9 .4476 .1302 .6631     .0373   .027   .043   .037   .008   .008   .007
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