KMo2P3O13 Leclaire A, Borel M M, Grandin A, Raveau B Acta Crystallographica C46 (1990) 2009-2011 Structure of a molybdenum(V) phosphate Beta-KMo2P3O13 _database_code_amcsd 0010199 CELL PARAMETERS: 9.7010 18.8480 6.3890 90.000 106.960 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1117.387 Density (g/cm3): 3.161 MAX. ABS. INTENSITY / VOLUME**2: 13.14519293 RIR: 1.354 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.53 3.04 9.2791 1 0 0 2 10.63 24.51 8.3249 1 1 0 4 13.39 92.83 6.6119 1 2 0 4 15.24 56.36 5.8132 0 1 1 4 15.58 28.27 5.6872 -1 1 1 4 17.04 41.96 5.2024 1 3 0 4 17.29 3.23 5.1274 0 2 1 4 17.60 50.92 5.0403 -1 2 1 4 18.83 79.85 4.7120 0 4 0 2 19.13 18.25 4.6395 2 0 0 2 19.71 63.24 4.5051 2 1 0 4 20.15 3.05 4.4068 1 1 1 4 20.27 9.02 4.3806 0 3 1 4 20.53 1.46 4.3259 -1 3 1 4 21.35 22.41 4.1625 2 2 0 4 21.76 12.43 4.0846 1 2 1 4 22.48 10.55 3.9554 -2 2 1 4 23.84 14.62 3.7322 2 3 0 4 24.07 1.43 3.6976 -1 4 1 4 24.21 52.58 3.6757 1 3 1 4 24.87 10.64 3.5808 -2 3 1 4 26.97 8.12 3.3060 2 4 0 4 27.30 3.49 3.2665 1 4 1 4 27.89 22.08 3.1994 -2 4 1 4 28.36 100.00 3.1472 -1 1 2 4 28.41 14.95 3.1413 0 6 0 2 28.69 7.33 3.1120 -3 1 1 4 28.87 32.18 3.0930 3 0 0 2 28.94 13.58 3.0850 2 2 1 4 29.23 3.20 3.0556 0 0 2 2 29.62 4.43 3.0162 0 1 2 4 30.03 29.95 2.9755 1 6 0 4 30.42 1.01 2.9388 3 2 0 4 30.56 24.33 2.9256 2 5 0 4 30.76 1.08 2.9066 0 2 2 4 30.85 1.86 2.8982 1 5 1 4 30.86 4.05 2.8971 2 3 1 4 31.38 10.15 2.8510 -2 5 1 4 31.44 8.74 2.8458 -1 3 2 4 31.46 4.63 2.8436 -2 2 2 4 31.73 17.41 2.8197 -3 3 1 4 32.04 3.58 2.7938 0 6 1 4 32.59 2.84 2.7478 0 3 2 4 33.25 1.87 2.6944 -2 3 2 4 33.39 7.69 2.6837 2 4 1 4 33.44 2.61 2.6793 1 0 2 2 33.79 1.45 2.6527 1 1 2 4 34.20 1.13 2.6218 -3 4 1 4 34.48 8.52 2.6012 2 6 0 4 34.69 21.46 2.5859 1 7 0 4 34.69 3.16 2.5857 3 4 0 4 34.73 3.47 2.5828 -3 0 2 2 34.75 10.98 2.5818 1 6 1 4 35.00 7.49 2.5637 0 4 2 4 35.07 2.20 2.5589 -3 1 2 4 35.22 1.61 2.5483 -2 6 1 4 36.46 2.88 2.4646 1 3 2 4 36.50 10.47 2.4619 3 1 1 4 36.62 3.59 2.4541 -1 7 1 4 36.90 10.99 2.4360 -1 5 2 4 37.45 1.54 2.4013 3 2 1 4 37.62 3.50 2.3911 3 5 0 4 37.65 2.29 2.3888 -3 3 2 4 38.20 4.33 2.3560 0 8 0 2 38.48 12.90 2.3395 -4 2 1 4 38.82 5.07 2.3198 4 0 0 2 38.91 3.69 2.3149 1 7 1 4 39.00 7.41 2.3094 3 3 1 4 39.12 5.65 2.3024 4 1 0 4 39.46 3.36 2.2835 1 8 0 4 39.80 3.67 2.2649 -3 4 2 4 40.00 3.26 2.2543 -4 3 1 4 40.07 5.24 2.2500 2 1 2 4 40.95 6.97 2.2040 3 6 0 4 41.34 4.80 2.1839 1 5 2 4 41.50 1.01 2.1762 4 3 0 4 41.73 2.63 2.1645 -4 1 2 4 41.76 2.03 2.1630 -2 6 2 4 42.40 1.71 2.1318 2 3 2 4 42.42 4.28 2.1307 -3 5 2 4 43.25 6.15 2.0918 -2 1 3 4 43.48 8.73 2.0812 4 4 0 4 43.67 8.32 2.0725 -2 8 1 4 43.69 3.82 2.0717 -1 2 3 4 43.98 2.17 2.0586 -4 3 2 4 44.08 3.47 2.0542 -2 2 3 4 44.44 1.97 2.0385 1 6 2 4 44.62 5.39 2.0309 3 7 0 4 44.75 5.35 2.0253 0 1 3 4 44.87 5.01 2.0201 0 7 2 4 45.38 2.36 1.9986 -2 7 2 4 45.45 8.08 1.9958 -2 3 3 4 45.46 2.58 1.9950 -3 6 2 4 45.56 5.18 1.9911 0 2 3 4 45.93 1.46 1.9760 -1 9 1 4 45.94 6.73 1.9756 4 5 0 4 46.77 1.24 1.9422 2 5 2 4 46.89 5.33 1.9377 0 3 3 4 47.64 2.06 1.9088 2 9 0 4 47.80 1.36 1.9028 3 1 2 4 47.85 2.63 1.9011 1 9 1 4 47.87 1.49 1.9002 -5 2 1 4 47.99 5.42 1.8957 -3 3 3 4 48.58 1.20 1.8742 3 8 0 4 48.70 5.25 1.8698 0 4 3 4 48.72 1.05 1.8690 1 1 3 4 48.81 3.37 1.8658 0 8 2 4 49.25 2.21 1.8502 -1 5 3 4 49.29 4.16 1.8488 -2 8 2 4 49.34 2.90 1.8471 1 10 0 4 49.34 3.66 1.8469 5 1 0 4 49.72 1.88 1.8337 -5 1 2 4 49.85 1.26 1.8294 4 4 1 4 49.96 5.24 1.8254 3 7 1 4 50.10 1.10 1.8208 5 2 0 4 50.69 5.37 1.8011 0 10 1 4 50.78 2.33 1.7978 -4 7 1 4 50.90 1.59 1.7939 -5 4 1 4 51.24 5.61 1.7828 -4 2 3 4 51.34 2.33 1.7798 5 3 0 4 51.66 1.62 1.7693 1 8 2 4 51.70 2.38 1.7680 -5 3 2 4 51.87 6.32 1.7628 2 9 1 4 52.04 2.66 1.7575 4 7 0 4 52.07 1.25 1.7565 4 5 1 4 52.24 1.98 1.7510 -1 9 2 4 52.32 1.34 1.7486 -2 6 3 4 52.40 2.28 1.7462 2 10 0 4 52.44 2.64 1.7447 1 4 3 4 52.59 1.90 1.7403 1 10 1 4 52.80 1.37 1.7338 2 7 2 4 53.03 2.83 1.7267 5 4 0 4 53.09 2.55 1.7250 -5 5 1 4 54.13 4.13 1.6942 -4 4 3 4 54.40 1.50 1.6864 -4 8 1 4 54.46 2.02 1.6850 1 11 0 4 54.63 4.41 1.6801 -3 6 3 4 54.70 1.38 1.6781 4 6 1 4 55.14 13.27 1.6657 2 2 3 4 55.16 4.45 1.6650 5 5 0 4 55.41 1.17 1.6583 -2 7 3 4 55.51 1.41 1.6553 -5 5 2 4 55.60 4.99 1.6530 4 8 0 4 55.71 1.22 1.6498 0 11 1 4 55.82 2.83 1.6469 -1 11 1 4 56.30 1.40 1.6341 2 3 3 4 56.32 2.30 1.6336 3 6 2 4 56.36 1.20 1.6325 4 0 2 2 56.66 4.04 1.6245 0 7 3 4 56.73 11.89 1.6226 5 2 1 4 56.73 2.41 1.6226 -5 1 3 4 56.91 4.88 1.6181 -3 10 1 4 57.23 3.87 1.6096 -6 1 1 4 57.42 2.02 1.6048 -5 2 3 4 57.62 2.13 1.5997 -4 8 2 4 57.63 4.40 1.5995 -3 7 3 4 57.77 10.95 1.5960 -2 0 4 2 57.82 1.46 1.5946 -2 11 1 4 57.87 1.18 1.5933 5 3 1 4 58.03 2.15 1.5893 -5 6 2 4 58.32 1.25 1.5822 -4 9 1 4 58.50 2.30 1.5778 -1 1 4 4 58.55 2.80 1.5765 -5 3 3 4 58.74 1.71 1.5719 -4 6 3 4 59.04 8.00 1.5646 -6 3 1 4 59.17 1.11 1.5615 -1 2 4 4 59.26 1.18 1.5593 3 7 2 4 59.44 1.30 1.5549 5 4 1 4 59.46 1.98 1.5545 4 9 0 4 59.71 6.48 1.5486 1 12 0 4 59.97 1.17 1.5425 4 4 2 4 60.04 2.55 1.5409 0 8 3 4 60.68 1.21 1.5261 6 2 0 4 61.04 2.09 1.5181 4 8 1 4 61.08 1.57 1.5172 2 11 1 4 61.33 4.29 1.5117 -2 4 4 4 61.49 1.38 1.5081 0 2 4 4 61.91 4.34 1.4988 3 11 0 4 62.11 3.12 1.4945 0 11 2 4 62.26 1.95 1.4911 -1 9 3 4 62.32 1.30 1.4899 2 6 3 4 62.42 1.49 1.4877 2 12 0 4 62.47 1.74 1.4867 -4 1 4 4 62.51 2.97 1.4857 -2 11 2 4 62.90 1.23 1.4776 -2 12 1 4 63.80 1.70 1.4588 5 6 1 4 63.85 1.16 1.4579 5 8 0 4 64.56 1.28 1.4435 1 11 2 4 64.66 1.60 1.4416 1 0 4 2 64.70 3.09 1.4407 4 9 1 4 64.80 1.79 1.4387 3 4 3 4 65.60 3.74 1.4232 -5 9 1 4 66.08 1.36 1.4139 -1 6 4 4 66.60 2.51 1.4041 -2 10 3 4 66.77 1.61 1.4011 6 1 1 4 67.18 1.09 1.3935 -5 7 3 4 67.47 1.52 1.3882 -6 4 3 4 67.55 3.23 1.3867 -4 5 4 4 67.63 1.32 1.3853 -6 7 1 4 68.01 1.60 1.3785 1 4 4 4 68.23 1.93 1.3745 2 8 3 4 68.27 1.50 1.3739 0 6 4 4 68.38 1.56 1.3718 -4 9 3 4 68.61 1.86 1.3679 -3 10 3 4 68.67 2.00 1.3669 4 10 1 4 69.55 2.13 1.3516 -3 7 4 4 69.86 1.17 1.3464 6 4 1 4 69.97 3.94 1.3446 4 1 3 4 70.26 1.83 1.3397 -5 8 3 4 70.64 1.15 1.3335 -1 11 3 4 70.82 3.90 1.3304 1 10 3 4 71.15 1.85 1.3251 2 13 1 4 71.59 3.69 1.3181 4 3 3 4 71.62 1.17 1.3175 -5 10 2 4 71.80 2.42 1.3148 0 14 1 4 71.92 1.68 1.3128 3 13 0 4 72.11 1.02 1.3099 0 13 2 4 72.49 1.59 1.3040 -2 13 2 4 73.34 2.55 1.2909 2 12 2 4 73.71 7.23 1.2853 -7 2 3 4 74.46 3.35 1.2741 -4 12 2 4 74.63 1.97 1.2718 3 8 3 4 76.48 1.52 1.2455 -6 4 4 4 76.92 1.15 1.2394 -5 7 4 4 77.01 2.37 1.2383 -3 14 1 4 77.14 2.07 1.2365 -6 8 3 4 77.66 1.46 1.2296 -1 15 1 4 77.98 2.43 1.2252 3 9 3 4 78.28 1.27 1.2213 7 6 0 4 79.52 1.16 1.2054 4 7 3 4 80.01 1.74 1.1992 -7 6 3 4 80.03 1.41 1.1989 5 12 0 4 80.12 1.59 1.1979 5 2 3 4 80.16 1.63 1.1974 -1 13 3 4 82.25 1.63 1.1721 -5 3 5 4 82.76 1.12 1.1662 1 1 5 4 82.90 1.18 1.1646 2 8 4 4 82.94 1.07 1.1641 3 15 0 4 83.90 1.07 1.1533 -7 9 1 4 84.14 1.17 1.1506 -6 10 3 4 85.76 1.28 1.1329 -4 13 3 4 86.38 1.33 1.1264 6 10 1 4 87.47 1.37 1.1151 -1 12 4 4 87.50 1.07 1.1148 -3 14 3 4 88.20 1.16 1.1078 -3 12 4 4 89.58 2.25 1.0942 1 14 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.