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Metarossite |
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Kelsey C H, Barnes W H |
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The Canadian Mineralogist 6 (1960) 448-466 |
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The crystal structure of metarossite |
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Locality: Thompson's, Utah, USA |
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_database_code_amcsd 0005077 |
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6.21 7.06 7.76 92.97 96.65 105.78 P-1 |
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atom x y z Biso |
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Ca .7595 .4665 .1470 3.0 |
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V1 .4485 .1020 .3360 3.0 |
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V2 .3750 .5830 .3450 3.0 |
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O1 .3915 .8400 .4170 4.0 |
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O2 .5170 .3920 .3835 4.0 |
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O3 .8610 .7555 .3655 4.0 |
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O4 .1050 .4730 .3345 4.0 |
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O5 .1930 .0635 .2350 4.0 |
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O6 .6245 .1170 .1870 4.0 |
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O7 .4300 .6000 .1460 4.0 |
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O8 .0070 .7210 .0130 4.0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Metarossite |
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Kobsch A, Downs R T, Domanik K J |
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Acta Crystallographica E72 (2016) 1280-1284 |
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Redetermination of metarossite, CaV5+2O6*2H2O |
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Locality: Blue Cap mine, San Juan County, Utah, USA |
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_database_code_amcsd 0020635 |
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6.2059 7.0635 7.7516 93.166 96.548 105.883 P-1 |
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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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Ca .76198 .46290 .14941 .968 .01347 .01257 .01497 .01215 .00252 .00183 .00180 |
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V1 .44830 .10219 .33436 .942 .00985 .01314 .00689 .00852 .00176 .00029 .00008 |
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V2 .37324 .58262 .34627 .943 .00920 .01155 .00736 .00783 .00227 -.00091 -.00009 |
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O1 .40476 .84797 .41681 .01664 .02508 .01093 .01229 .00370 -.00027 .00015 |
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O2 .52482 .38667 .38662 .01327 .01503 .01121 .01325 .00425 -.00018 -.00021 |
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OW3 .85213 .76371 .36687 .02623 .02640 .02282 .02687 .00343 .00125 .00288 |
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O4 .10320 .47262 .33287 .01847 .01625 .01835 .01913 .00331 -.00053 .00142 |
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O5 .18964 .06833 .23183 .02388 .02485 .01575 .02663 .00318 -.00760 .00017 |
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O6 .62123 .11132 .19093 .02646 .03907 .01751 .02313 .00431 .01535 .00022 |
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O7 .43045 .59975 .14080 .01860 .02204 .01948 .01457 .00689 .00091 .00193 |
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OW8 .00442 .72245 .00603 .01890 .02250 .01544 .01564 .00165 -.00088 .00082 |
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H1 .94305 .74965 .45527 .04 |
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H2 .91127 .88151 .32691 .04 |
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H3 .07556 .81965 .07351 .04 |
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H4 -.06818 .77591 -.08228 .04 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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