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Nastrophite |
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Baturin S V, Malinovskii Y A, Belov N V |
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Soviet Physics Doklady 26 (1981) 1023-1026 |
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The crystal structure of nastrophite Na(Sr,Ba)[PO4]*9H2O |
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10.559 10.559 10.559 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 .6765 .6765 .6765 2.5 .0054 .0054 .0054 -.0008 -.0008 -.0008 |
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Sr .0533 .0533 .0533 .94 1.5 .0033 .0033 .0033 0 0 0 |
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Ba .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
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Ca .0533 .0533 .0533 .03 1.5 .0033 .0033 .0033 0 0 0 |
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P .4243 .4243 .4243 1.4 .0032 .0032 .0032 -.0007 -.0007 -.0007 |
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O4 .3402 .3402 .3402 .44 3.3 |
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O5 .5544 .4472 .3595 .44 2.4 |
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O6 .5573 .3780 .4768 .27 2.4 |
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O7 .5189 .3142 .3982 .25 2.4 |
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O8 .3850 .4100 .5600 .04 |
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O9 .3100 .3900 .3400 .187 |
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Ow1 .3991 .0835 .3464 2.7 .0071 .0058 .0051 -.0004 -.0008 -.0009 |
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Ow2 .2892 .1332 .0466 2.5 .0043 .0076 .0061 -.0011 -.0004 .0011 |
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Ow3 .5994 .2910 .1499 2.6 .0062 .0055 .0054 .0013 .0015 .0014 |
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H1 .39 .18 .38 |
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H2 .43 .09 .28 |
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H3 .34 .09 .08 |
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H4 .33 .23 .06 |
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H5 .57 .21 .14 |
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H6 .54 .33 .22 |
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