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