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Munirite |
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Bjornberg A, Hedman B |
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Acta Chemica Scandinavica A31 (1977) 579-584 |
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The crystal structure of NaVO3*1.89H2O |
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Locality: synthetic |
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Note: one of the H atoms could not be found |
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_database_code_amcsd 0011948 |
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16.756 3.6391 8.023 90 111.18 90 P2_1/a |
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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 .09375 .2520 .6478 .0022 .0378 .0119 .0024 .0009 -.0008 |
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V .03783 .2455 .16781 .0014 .0149 .0035 .0011 .0007 .0003 |
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O1 .00071 .2510 .3327 .0022 .0295 .0060 -.0008 .0020 .0012 |
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O2 .14265 .2780 .2540 .0015 .0474 .0097 -.0012 .0011 -.0025 |
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O3 .98668 .2479 .9023 .0040 .0156 .0043 .0003 .0007 .0059 |
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Ow4 .32282 .2581 .4108 .0018 .0650 .0090 -.0010 .0012 .0015 |
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OHw5 .18965 .2423 .9491 .89 .0031 .384 .0120 .0117 .0029 .0187 |
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H1 .272 .198 .369 2.8 |
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H2 .333 .201 .511 3.8 |
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H3 .167 .361 .018 .89 7.8 |
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