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Datolite |
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Rinaldi R, Gatta G D, Angel R J |
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American Mineralogist 95 (2010) 1413-1421 |
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Crystal chemistry and low-temperature behavior of datolite: |
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a single-crystal X-ray diffraction study |
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Locality: Valmozzola, Parma, Italy |
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Note: T = 280 K |
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_database_code_amcsd 0017705 |
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4.8355 7.6085 9.6326 90 90.159 90 P2_1/c |
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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 .00833 .60616 .16388 .0062 .0065 .0068 .0053 .0004 .0006 .0000 |
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B .56856 .08933 -.15914 .0052 .0059 .0056 .0040 .0002 .0001 .0003 |
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Si .46899 .26620 .08436 .0041 .0049 .0043 .0031 .0003 .0002 -.0002 |
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O1 .24063 .40112 .03738 .0072 .0076 .0073 .0068 .0022 -.0010 -.0003 |
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O2 .66991 .19903 -.04253 .0061 .0066 .0071 .0045 -.0008 .0010 -.0018 |
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O3 .67520 .33451 .21047 .0061 .0061 .0083 .0038 .0004 .0004 -.0015 |
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O4 .31489 .08791 .14591 .0067 .0074 .0046 .0082 .0004 .0024 .0009 |
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O5 .25889 .08651 -.16344 .0071 .0054 .0099 .0061 -.0008 .0006 .0011 |
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H .206 .048 -.092 .030 .012 .032 .046 .006 -.005 -.003 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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