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Calciodelrioite |
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Kampf A R, Marty J, Nash B P, Plasil J, Kasatkin A V, Skoda R |
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Mineralogical Magazine 76 (2012) 2803-2817 |
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Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 |
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Locality: West Sunday mine, Slick Rock district, San Miguel County, Colorado, USA |
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_database_code_amcsd 0019683 |
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14.6389 6.9591 17.052 90 102.568 90 I2/a |
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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 .73915 -.01650 .69610 .978 .0238 .0264 .0222 .0216 .0021 .0026 -.0034 |
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Sr .73915 -.01650 .69610 .022 .0238 .0264 .0222 .0216 .0021 .0026 -.0034 |
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V1 .79336 -.00857 .92497 .01287 .0080 .0192 .0116 -.0007 .0026 .0000 |
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V2 .54422 -.01384 .92645 .01404 .0072 .0246 .0104 .0010 .0023 -.0010 |
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O1 .92778 -.0413 .95628 .0201 .0083 .0378 .0151 -.0029 .0046 .0004 |
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O2 .67617 -.0573 .95622 .0189 .0089 .0331 .0150 -.0002 .0035 -.0027 |
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O3 .77342 -.1365 .84035 .0230 .0176 .0283 .0239 -.0030 .0061 -.0063 |
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O4 .78551 .2154 .89913 .0276 .0292 .0241 .0290 -.0008 .0055 .0031 |
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O5 .51085 -.2023 .86897 .0356 .0209 .0533 .0321 -.0045 .0047 -.0233 |
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O6 .54648 .1779 .87097 .0368 .0258 .0495 .0381 .0104 .0136 .0229 |
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OW1 .8180 -.0315 .5851 .0480 .063 .0304 .059 .0108 .0336 .0030 |
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H1A .835 -.151 .574 .058 |
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H1B .833 .041 .547 .058 |
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OW2 .6120 -.2827 .7546 .0860 .0322 .182 .040 .026 -.0025 -.055 |
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H2A .588 -.231 .795 .103 |
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H2B .566 -.285 .711 .103 |
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OW3 .9065 .5369 .9048 .0534 .0385 .0294 .082 -.0033 -.0088 -.0022 |
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H3A .947 .439 .907 .064 |
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H3B .936 .645 .916 .064 |
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OW4 .85198 .2572 .74850 .0265 .0197 .0415 .0183 .0025 .0046 .0052 |
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H4A .873 .292 .7063 .032 |
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H4B .899 .227 .7871 .032 |
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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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