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American Mineralogist Crystal Structure Database

1 matching records for this search.

Torbernite
Download hom/torbernite.pdf
Locock A J, Burns P C
Download cm/vol41/CM41_489.pdf
The Canadian Mineralogist 41 (2003) 489-502
Crystal structures and synthesis of the copper-dominant members of the autunite
and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite
_database_code_amcsd 0005830
7.0267 7.0267 20.807 90 90 90 *P4/nnc
.25 .25 .25
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U      1/4    1/4 .4584 .010   .009   .009   .013      0      0      0
P      1/4   -1/4   1/2 .011   .008   .008   .016      0      0      0
Cu     1/4    1/4   1/4 .022   .018   .018   .028      0      0      0
O1     1/4    1/4 .3728 .017   .019   .019   .012      0      0      0
O2     1/4    1/4 .5429 .021   .024   .024   .017      0      0      0
OW3    1/4 -.0222   1/4 .036   .049   .020   .040      0   .021      0
O4   .2194 -.0762 .4565 .016   .016   .009   .022   .001  -.003   .002
OW5  .0205 -.1667 .3391 .025   .027   .026   .023  -.002   .002   .003
H1   -.067  -.103  .313 .050
H2    .054  -.143  .381 .050
H3    .185  -.107  .278 .050
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