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Datolite |
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Ivanov Y V, Belokoneva E L |
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Acta Crystallographica B63 (2007) 49-55 |
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Multipole refinement and electron density analysis in natural borosilicate |
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datolite using X-ray diffraction data |
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Locality: datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains |
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_database_code_amcsd 0009947 |
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9.646 7.620 4.839 90 90.14 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .336100 .106130 .99161 .00639 .00589 .00680 .00647 -.00007 .00041 -.00047 |
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B .34077 .41057 .56786 .0054 .00482 .00566 .00583 -.00014 .00031 -.00006 |
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Si .084380 .26617 .46891 .00425 .00371 .00411 .00492 -.00028 .00006 .00032 |
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O1 .03739 .40109 .24048 .0074 .00735 .00702 .00792 -.00029 -.00136 .00287 |
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O2 .45730 .30115 .67017 .0063 .00488 .00751 .00637 .00201 .00101 .00095 |
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O3 .21047 .33474 .67514 .0063 .00451 .00832 .00601 -.00182 -.00005 .00027 |
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O4 .14598 .08787 .31499 .0070 .00888 .00427 .00798 .00083 .00233 .00022 |
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O5 .33680 .41344 .25851 .0073 .00700 .00978 .00509 -.00055 .00020 .00063 |
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H .584 .552 .829 .036 |
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