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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 1008010 |
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_database_code_amcsd 0015958 |
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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 .0115 .0115 .0115 0 0 0 |
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W1 .75822 .95688 .95688 .0207 .0173 .0173 -.0002 -.0002 -.0058 |
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O1 .82273 .82273 .82273 .0155 .0155 .0155 -.001 -.001 -.001 |
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O2 .65683 .84317 .99316 .0228 .0228 .0189 -.0023 .0009 -.0009 |
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O3 .87155 .87155 .02447 .0249 .0249 .0178 .0004 -.0036 -.0036 |
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O4 .73276 .05441 .05441 .0375 .0285 .0285 .0013 .0013 -.0149 |
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O5 .75 .15248 .25 .5 .0844 .0337 .0232 0 -.0008 0 |
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H1 .74525 .11259 .18288 .5 .0678 .0511 .0385 .0014 .001 -.0081 |
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H2 .75 .25 .25 .0449 .0442 .0442 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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