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Ba Cl2 H4 O2 |
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Padmanabhan V, Busing W, Levy H |
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Acta Crystallographica B34 (1978) 2290-2292 |
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Barium chloride dihydrate by neutron diffraction |
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_cod_database_code 1008028 |
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_database_code_amcsd 0015975 |
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6.7215 10.9080 7.1316 90 91.104 90 P2_1/n |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .5410 .2831 .6461 .0171 .0227 .0147 .0040 .0002 .0000 |
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Cl1 .8625 .0811 .7946 .0236 .0211 .0213 .0005 -.0012 -.0019 |
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Cl2 .6419 .1049 .3020 .0256 .0227 .0102 -.0020 .0025 -.0026 |
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O1 .3777 .1404 .9409 .0226 .0208 .0273 .0022 .0000 .0038 |
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O2 .2007 .1474 .5060 .0282 .0212 .0239 .0005 .0010 .0013 |
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H1 .3534 .0621 .8837 .0564 .0295 .0557 -.0030 -.0042 -.0022 |
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H2 .4755 .1252 .0405 .0392 .0453 .0473 .0075 -.0113 .0045 |
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H3 .0984 .1374 .5969 .0420 .0562 .0372 -.0040 .0088 .0051 |
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H4 .2471 .0656 .4891 .0584 .0310 .0664 .0087 -.0035 -.0040 |
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