H15 O46 P W12 Brown G, Noe-Spirlet M, Busing W, Levy H Acta Crystallographica B33 (1977) 1038-1046 Dodecatungstophosphoric acid hexahydrate, (H5 O2)3 (P W12 O40), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data _cod_database_code 1008011 _database_code_amcsd 0015959 CELL PARAMETERS: 12.5060 12.5060 12.5060 90.000 90.000 90.000 SPACE GROUP: Pn3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1955.939 Density (g/cm3): 5.073 MAX. ABS. INTENSITY / VOLUME**2: 144.5548285 RIR: 9.278 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.00 100.00 8.8431 1 1 0 12 12.26 2.52 7.2203 1 1 1 8 14.16 17.90 6.2530 2 0 0 6 17.37 14.65 5.1056 2 1 1 24 20.08 36.29 4.4215 2 2 0 12 21.31 1.14 4.1687 2 2 1 24 22.48 26.58 3.9547 3 1 0 24 24.66 95.62 3.6102 2 2 2 8 26.67 4.19 3.3424 3 2 1 48 28.55 32.00 3.1265 4 0 0 6 30.32 6.78 2.9477 3 3 0 12 30.32 7.11 2.9477 4 1 1 24 32.01 9.18 2.7964 4 2 0 24 33.61 61.50 2.6663 3 3 2 24 36.64 6.28 2.4526 4 3 1 48 36.64 24.87 2.4526 5 1 0 24 39.47 8.91 2.2833 5 2 1 48 40.82 6.85 2.2108 4 4 0 12 41.48 1.58 2.1770 4 4 1 24 42.13 2.32 2.1448 5 3 0 24 43.41 2.09 2.0843 6 0 0 6 43.41 5.61 2.0843 4 4 2 24 44.67 18.95 2.0287 5 3 2 48 45.89 5.56 1.9774 6 2 0 24 46.50 2.16 1.9531 4 4 3 24 47.09 10.80 1.9297 5 4 1 48 48.27 2.97 1.8854 6 2 2 24 50.56 1.78 1.8051 4 4 4 8 51.68 3.30 1.7686 5 4 3 48 51.68 26.04 1.7686 5 5 0 12 51.68 5.48 1.7686 7 1 0 24 52.79 2.61 1.7343 6 4 0 24 53.87 1.49 1.7019 6 3 3 24 53.87 1.73 1.7019 5 5 2 24 54.94 2.03 1.6712 6 4 2 48 56.00 3.09 1.6421 7 3 0 24 58.08 33.79 1.5883 7 3 2 48 58.08 1.74 1.5883 6 5 1 48 60.11 13.05 1.5394 5 5 4 24 60.11 1.99 1.5394 7 4 1 48 61.11 2.66 1.5166 8 2 0 24 62.10 2.87 1.4948 6 5 3 48 63.08 9.25 1.4738 8 2 2 24 63.56 1.96 1.4637 6 6 1 24 64.05 2.58 1.4538 7 5 0 24 65.97 4.00 1.4160 7 5 2 48 67.39 1.07 1.3896 8 4 1 48 67.86 3.50 1.3811 8 3 3 24 67.86 2.54 1.3811 9 1 0 24 69.73 1.56 1.3486 9 2 1 48 69.73 1.98 1.3486 6 5 5 24 71.58 2.56 1.3182 7 5 4 48 73.40 1.62 1.2899 7 6 3 48 75.21 1.68 1.2633 9 4 1 48 75.21 1.74 1.2633 8 5 3 48 76.11 3.32 1.2506 10 0 0 6 77.01 8.57 1.2383 7 7 2 24 78.79 5.78 1.2147 9 5 0 24 79.68 1.19 1.2034 10 2 2 24 80.56 2.07 1.1924 7 6 5 48 83.20 4.05 1.1612 10 4 0 24 85.82 3.46 1.1322 9 5 4 48 85.82 4.89 1.1322 8 7 3 48 87.57 3.76 1.1141 10 5 1 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.