P4W12O44 Labbe P, Goreaud M, Raveau B Journal of Solid State Chemistry 61 (1986) 324-331 Monophosphate tungsten bronzes with pentagonal tunnels (PO2)4(WO3)2m: Structure of two even-m members P4W12O44 (m=6) and P4W16O56 (m=8) _cod_database_code 1001335 _database_code_amcsd 0013572 CELL PARAMETERS: 5.2927 6.5604 23.5490 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 817.674 Density (g/cm3): 6.161 MAX. ABS. INTENSITY / VOLUME**2: 88.53859066 RIR: 4.680 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.51 71.03 11.7745 0 0 2 2 15.05 13.60 5.8872 0 0 4 2 15.46 7.37 5.7309 0 1 2 4 18.38 1.88 4.8274 1 0 2 4 20.27 51.34 4.3816 0 1 4 4 21.57 2.79 4.1193 1 1 0 4 21.90 51.87 4.0577 1 1 1 4 22.59 6.10 3.9360 1 0 4 4 22.66 4.20 3.9248 0 0 6 2 22.87 100.00 3.8882 1 1 2 4 23.25 70.30 3.8259 0 1 5 4 24.40 94.78 3.6475 1 1 3 4 26.41 48.01 3.3751 1 1 4 4 26.46 26.38 3.3681 0 1 6 4 27.45 1.91 3.2488 0 2 1 4 28.31 9.77 3.1526 1 0 6 4 29.85 6.81 2.9935 0 1 7 4 31.21 5.20 2.8654 0 2 4 4 31.48 4.13 2.8415 1 1 6 4 32.33 3.50 2.7688 1 2 1 4 33.02 40.93 2.7131 1 2 2 4 33.29 19.08 2.6917 0 2 5 4 33.87 37.62 2.6463 2 0 0 2 34.13 37.75 2.6273 1 2 3 4 34.74 3.43 2.5819 2 0 2 4 34.88 61.84 2.5725 1 0 8 4 35.63 3.65 2.5198 1 2 4 4 35.67 16.78 2.5169 0 2 6 4 36.99 5.93 2.4304 0 1 9 4 37.25 1.88 2.4137 2 0 4 4 37.43 1.33 2.4026 2 1 2 4 39.79 10.71 2.2653 2 1 4 4 40.71 4.34 2.2164 0 1 10 4 41.47 16.25 2.1774 0 3 1 4 41.49 11.92 2.1764 2 1 5 4 41.99 1.85 2.1515 1 0 10 4 42.09 1.16 2.1467 1 2 7 4 43.49 5.72 2.0809 2 1 6 4 44.14 2.40 2.0518 2 2 1 4 44.28 2.52 2.0455 0 2 9 4 44.52 2.68 2.0352 0 1 11 4 45.02 1.10 2.0137 1 3 1 4 45.76 4.77 1.9827 2 1 7 4 46.72 7.33 1.9441 2 2 4 4 47.53 13.93 1.9130 0 2 10 4 47.66 2.64 1.9080 1 2 9 4 48.22 22.80 1.8871 2 2 5 4 48.41 4.59 1.8801 0 1 12 4 49.54 1.58 1.8400 1 0 12 4 50.01 19.57 1.8238 2 2 6 4 50.94 10.16 1.7928 0 2 11 4 51.02 7.08 1.7900 2 1 9 4 51.59 10.22 1.7716 1 1 12 4 52.06 1.37 1.7566 2 2 7 4 52.84 36.72 1.7325 1 3 7 4 53.96 5.11 1.6993 3 1 1 4 53.96 8.35 1.6992 2 1 10 4 54.41 9.02 1.6861 3 1 2 4 54.56 1.60 1.6821 0 0 14 2 54.58 27.26 1.6814 2 3 1 4 55.17 9.59 1.6649 3 1 3 4 55.41 12.01 1.6582 1 1 13 4 55.78 1.22 1.6481 2 3 3 4 56.21 6.23 1.6366 3 1 4 4 57.09 6.53 1.6133 2 1 11 4 57.25 1.67 1.6091 3 0 6 4 57.42 2.48 1.6048 1 2 12 4 57.49 1.26 1.6031 1 0 14 4 57.63 19.60 1.5995 1 3 9 4 58.41 1.21 1.5799 0 4 4 4 59.35 3.03 1.5572 1 1 14 4 59.53 5.71 1.5529 1 4 2 4 59.64 7.56 1.5503 2 2 10 4 59.70 4.36 1.5489 0 4 5 4 60.06 7.55 1.5404 3 2 2 4 60.24 8.71 1.5363 1 4 3 4 60.40 4.96 1.5327 2 1 12 4 60.77 7.73 1.5242 3 2 3 4 61.00 5.18 1.5190 1 2 13 4 61.22 1.99 1.5139 1 4 4 4 61.25 3.02 1.5133 0 4 6 4 61.25 13.05 1.5133 3 0 8 4 61.75 1.02 1.5023 3 2 4 4 62.58 7.59 1.4843 2 2 11 4 63.17 5.42 1.4718 0 0 16 2 63.28 1.24 1.4696 1 3 11 4 63.40 1.45 1.4670 1 1 15 4 64.72 6.30 1.4403 1 2 14 4 65.78 3.25 1.4196 2 0 14 4 69.26 2.54 1.3566 2 4 4 4 69.89 2.46 1.3459 0 4 10 4 70.44 7.49 1.3367 2 4 5 4 71.27 6.28 1.3232 4 0 0 2 71.87 5.12 1.3137 2 4 6 4 71.91 3.85 1.3130 1 1 17 4 72.62 3.39 1.3019 0 4 11 4 73.63 3.48 1.2865 3 1 12 4 73.65 9.89 1.2863 2 0 16 4 74.38 6.10 1.2753 0 3 15 4 74.63 2.76 1.2717 1 5 1 4 74.66 11.37 1.2713 3 3 7 4 74.98 2.52 1.2667 4 1 4 4 75.02 3.57 1.2661 1 5 2 4 75.17 1.56 1.2639 0 5 5 4 75.65 3.05 1.2571 1 5 3 4 76.12 3.85 1.2505 4 1 5 4 76.38 3.56 1.2469 1 1 18 4 76.54 1.23 1.2447 1 5 4 4 76.56 1.39 1.2444 0 5 6 4 76.81 4.53 1.2410 3 1 13 4 77.51 2.20 1.2315 4 1 6 4 78.05 1.24 1.2243 1 4 12 4 78.70 7.45 1.2158 3 3 9 4 79.98 2.15 1.1996 2 4 10 4 80.19 1.28 1.1970 3 1 14 4 80.35 2.07 1.1950 3 4 2 4 80.97 3.16 1.1875 4 2 5 4 80.97 3.42 1.1874 3 4 3 4 81.01 1.40 1.1869 1 1 19 4 81.17 2.59 1.1849 1 4 13 4 81.22 2.76 1.1844 1 2 18 4 81.64 2.10 1.1794 3 2 13 4 82.19 1.02 1.1729 0 5 9 4 82.33 3.35 1.1712 4 2 6 4 82.41 2.76 1.1702 0 3 17 4 82.59 4.34 1.1682 2 4 11 4 83.12 1.32 1.1621 4 1 9 4 84.29 5.46 1.1489 2 3 15 4 84.52 2.44 1.1464 1 4 14 4 84.98 2.82 1.1413 3 2 14 4 85.05 1.48 1.1405 2 5 5 4 85.46 1.52 1.1361 4 1 10 4 85.79 3.12 1.1326 1 2 19 4 85.84 1.56 1.1321 1 1 20 4 85.96 5.00 1.1308 4 3 1 4 86.41 1.61 1.1261 2 5 6 4 88.01 1.31 1.1097 2 5 7 4 88.04 1.13 1.1093 4 1 11 4 88.44 1.08 1.1053 0 1 21 4 89.67 3.07 1.0934 0 6 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.