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American Mineralogist Crystal Structure Database

1 matching records for this search.

Holfertite
  
Sokolova E, Hawthorne F C, Belakovskiy D I, Pautov L A
Download cm/vol43/CM43_1545.pdf 
The Canadian Mineralogist 43 (2005) 1545-1552
The OD (order-disorder) structure of holfertite, a hydrated uranyl
titanate mineral from Searle Canyon, Thomas Range, Utah, USA
Locality: Searle Canyon, Thomas Range, Utah, USA
_database_code_amcsd 0006067
10.824 10.824 7.549 90 90 120 P3
atom      x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1A   .4559 .4504  .0724 .75 .1033   .141   .058  .0000  -.033  .0029  .0038
U1B    .536  .595   .072 .15  .117   .167    .22 .02702   .141  -.047  -.028
U1C    .559  .512   .079 .10  .068   .005   .017    .13  -.035   .013   .019
U2    .4869 .4936  .5703 .77  .127   .162   .128  .0000   .003 -.0006  -.006
Ti1     2/3   1/3 -.1810      .066   .098   .098   .000   .049      0      0
Ti2     2/3   1/3  .3233      .054   .081   .081   .000   .040      0      0
Ti3     1/3   2/3   .320  .5  .015   .022   .022   .000   .011      0      0
Ti4     1/3   2/3   .826  .5  .023   .035   .035   .000   .017      0      0
Ca     .073  .127   .560 .25
O1     .829  .461   .341       .09
O2     .526  .361   .798       .09
O3     .353  .507   .815  .5   .03
O4     .153  .652   .299  .5   .01
OH5    .263  .631   .580 .33   .05
O6     .629 .5615   .574 .75   .04
O7     .648  .373   .066 .33   .05
O8     .300  .268   .582 .75   .11
OH9    .270  .571   .081 .33   .05
O10    .331  .230   .062       .18
O11     2/3   1/3   .572       .10
O12    .615  .615   .069       .02
Wat13  .151  .874   .786  .5
Wat14     0     0   .478  .5
Wat15  .737  .879   .067  .5
Wat16  .996  .061   .062  .5
Wat17  .080  .845   .169  .5
Wat18  .127  .084   .558  .5
Wat19  .115  .129   .067 .33


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