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H3BO3 |
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Shuvalov R R, Burns P C |
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Acta Crystallographica 59 (2003) i47-i49 |
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A new polytype of orthoboric acid, H3BO3-3T |
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Locality: synthetic |
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_database_code_amcsd 0018654 |
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7.0453 7.0453 9.5608 90 90 120 P3_2 |
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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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B1 .1837 .6403 .2849 .0485 .045 .056 .050 .029 -.0005 -.002 |
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B2 .5180 .3069 .2964 .0277 .0144 .0177 .053 .0093 .0007 .0015 |
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O1 .0621 .7393 .2805 .0514 .0246 .0384 .097 .0198 -.0021 -.0049 |
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O2 .0864 .4195 .2808 .0467 .0263 .0278 .0859 .0133 -.0038 -.0024 |
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O3 .4090 .7650 .2869 .0441 .0233 .0254 .082 .0108 -.0006 -.0032 |
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O4 .6437 .2103 .2929 .0413 .0279 .0249 .072 .0138 -.0007 -.0025 |
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O5 .2950 .1832 .2998 .0506 .0284 .0379 .0902 .0201 -.0026 .0010 |
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O6 .6136 .5294 .2904 .0464 .0307 .0325 .0772 .0167 .0070 .0080 |
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H1 .133 .877 .316 .015 |
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H2 -.057 .361 .311 .013 |
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H3 .483 .695 .311 .022 |
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H4 .565 .077 .333 .048 |
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H5 .243 .274 .324 .027 |
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H6 .755 .602 .318 .027 |
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