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Cu(HCOO)2*4H2O |
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Okada K, Kay M I, Cromer D T, Almodovar I |
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Journal of Chemical Physics 44 (1966) 1648-1653 |
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Crystal structure by neutron diffraction and the antiferroelectric phase |
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transition in copper formate tetrahydrate |
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8.15 8.18 6.35 90 101.083 90 P2_1/a |
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atom x y z occ Biso |
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Cu 0 0 0 1.02 |
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C .237 .269 .024 1.04 |
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OF1 .205 -.092 -.080 1.27 |
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OF2 .116 .213 .088 1.34 |
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Ow1 .430 .401 .641 1.94 |
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Ow2 .089 .357 .482 2.59 |
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HF .207 .692 .071 4.2 |
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H1 .311 .385 .592 .75 3.3 |
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H2 .481 .296 .592 .75 3.6 |
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H3 .473 .462 .518 .5 3.9 |
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H4 .084 .320 .339 3.7 |
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H5 .029 .475 .480 .5 4.7 |
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H6 .195 .431 .585 .25 3.7 |
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H7 .040 .269 .533 .25 0.9 |
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