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H15 O46 P W12 |
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Brown G, Noe-Spirlet M, Busing W, Levy H |
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Acta Crystallographica B33 (1977) 1038-1046 |
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Dodecatungstophosphoric acid hexahydrate, (H5 O2)3 (P W12 O40), |
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the true structure of Keggin's 'pentahydrate' from single |
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crystal X-ray and neutron diffraction data |
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_cod_database_code 1008011 |
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_database_code_amcsd 0015959 |
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12.506 12.506 12.506 90 90 90 *Pn3m |
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.25 .25 .25 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P1 .75 .75 .75 .0137 .0137 .0137 0 0 0 |
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W1 .75821 .95680 .95680 .02 .017 .017 .000 .000 -.0058 |
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O1 .82252 .82252 .82252 .018 .018 .018 -.0013 -.0013 -.0013 |
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O2 .65617 .84383 .99326 .0163 .0163 .0192 -.006 .0003 -.0003 |
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O3 .87223 .87223 .02398 .0199 .0199 .0175 .0047 -.0087 -.0087 |
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O4 .73311 .05452 .05452 .0327 .0315 .0315 -.0015 -.0015 -.0158 |
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O5 .75 .15472 .25 .5 .12 .0552 .0371 0 -.0124 0 |
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H1 .74503 .10148 .191 .5 .0708 .0708 .0708 0 0 0 |
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H2 .75 .25 .25 .0552 .0552 .0552 0 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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