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Weddellite |
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Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
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American Mineralogist 99 (2014) 2-7 |
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Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 4 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020074 |
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12.3530 12.3530 7.3594 90 90 90 I4/m |
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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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Ca1 .30069 .19937 0 .01599 .01651 .01755 .0139 .00147 .000 .000 |
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C1 .55331 .24264 -.10552 .0182 .0176 .0232 .0139 -.0014 -.0003 .0012 |
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O1 .64339 .24550 -.18258 .0220 .0172 .0330 .0156 -.0032 .0022 -.0014 |
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O2 .46294 .23755 -.18011 .0380 .0177 .0793 .0170 -.0057 -.0034 .0077 |
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OW1 .11452 .14548 0 .0372 .0231 .0575 .0312 -.0040 .000 .000 |
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OW2 .38230 .01879 0 .0404 .0501 .0329 .0383 .0153 .000 .000 |
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Wat3 0 0 -.351 .19 .097 |
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Wat31 0 0 -.268 .20 .091 |
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H1 .076 .154 -.106 .112 |
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H2 .392 -.004 .119 .158 |
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