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CaBa2(HPO4)2(H2PO4)2 |
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Toumi M, Chabchoub S, Smiri-Dogguy L, Laligant Y |
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European Journal of Solid State and Inorganic Chemistry 34 (1997) 1249-1257 |
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Ab-initio powder structure determination of CaBa2(HPO4)2(H2PO4)2: |
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a new phosphate with a M(T$-Phi4)4 chain structure |
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_cod_database_code 1000440 |
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_database_code_amcsd 0012618 |
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12.3872 10.2046 5.4946 90 100.767 90 P2_1/a |
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atom x y z |
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Ba1 .3236 .1559 .1422 |
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Ca1 .5 .5 0 |
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P1 .0508 .3063 .7581 |
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P2 .2019 -.0082 .5832 |
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O1 .1753 .3103 .8156 |
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O2 .0243 .2616 .4822 |
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O3 .2180 .8383 .5066 |
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O4 .0061 .4604 .7289 |
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O5 .314 .0669 .6233 |
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O6 .1239 .0516 .3452 |
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O7 .0034 .2353 -.0497 |
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O8 .1543 -.0089 .8178 |
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