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Nabaphite |
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Baturin S V, Malinovskii Y A, Belov N V |
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Doklady Akademii Nauk SSSR 266 (1982) 624-627 |
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The crystal structure of nabaphite NaBa[PO4]*9H2O |
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_database_code_amcsd 0012473 |
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10.7116 10.7116 10.7116 90 90 90 P2_13 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .6808 .6808 .6808 2.24 .0048 .0048 .0048 -.0009 -.0009 -.0009 |
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Ba .052 .052 .052 1.54 .0034 .0034 .0034 -.0001 -.0001 -.0001 |
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P .428 .428 .428 1.41 .0030 .0030 .0030 .0001 .0001 .0001 |
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O4 .345 .345 .345 .86 |
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O5 .511 .511 .511 .14 |
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O6 .5605 .4379 .3663 .28 |
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O7 .388 .501 .307 .39 |
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O8 .555 .363 .455 .33 |
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Wat1 .4017 .0885 .3383 2.91 .0087 .0043 .0049 0 -.0014 -.0011 |
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Wat2 .2989 .1434 .041 2.70 .0038 .0088 .0053 -.0017 -.0003 -.0020 |
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Wat3 .5961 .2879 .159 2.32 .0031 .0056 .0059 .0015 .0010 .0001 |
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