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P4W24O80 |
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Roussel P, Mather G, Domenges B, Groult D, Labbe P |
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Acta Crystallographica B54 (1998) 365-375 |
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Structural investigation of P4W24O80: A new monophosphate tungsten bronze |
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_cod_database_code 1001821 |
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_database_code_amcsd 0009905 |
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5.312 6.5557 42.196 90 90 90 P2_12_12_1 |
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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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W1 .2431 .4272 .69885 .0084 .0081 .005773 .0055 -.0043 -.00256 |
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W2 .251 .0996 .62523 .0092 .0075 .007036 .0045 -.0056 -.00156 |
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W3 .2526 .7578 .55324 .0110 .0099 .008389 -.002 .0042 -.00233 |
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W4 .2622 .4137 .48215 .0051 .0115 .008840 .0011 -.00503 -.00196 |
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W5 .7626 .4299 .58941 .0099 .0088 .007397 -.0026 .00597 -.00101 |
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W6 .7592 .7693 .66258 .0093 .0066 .006494 -.0027 .0019 -.00130 |
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P1 .762 .1144 .7243 |
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O1 .73 .058 .7590 |
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O2 .547 .263 .7170 |
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O3 .025 .211 .7193 |
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O4 -.022 .566 .6888 |
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O5 .477 .609 .6837 |
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O6 .26 .258 .6649 |
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O7 .537 .946 .6466 |
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O8 .038 .902 .6487 |
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O9 .469 .269 .6064 |
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O10 -.036 .244 .6166 |
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O11 .269 -.066 .5920 |
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O12 .547 .626 .5735 |
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O13 .043 .564 .5744 |
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O14 .475 .935 .5321 |
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O15 -.037 .898 .5412 |
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O16 .233 .591 .5181 |
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O17 .542 .281 .4988 |
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O18 .772 .256 .5556 |
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O19 .778 .582 .6302 |
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O20 .726 -.086 .7044 |
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View JMOL 3-D Structure (permalink) |
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