K Mo O8 P2 Gueho C, Borel M, Grandin A, Leclaire A, Raveau B Zeitschrift fur Anorganische und Allgemeine Chemie 615 (1992) 104-108 Crystal structure of the molybdenum(V) diphosphate KMoP2O8 isotypic with KNbP2O8 _cod_database_code 1001517 _database_code_amcsd 0015798 CELL PARAMETERS: 5.0862 11.7200 11.4860 90.000 90.910 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 684.597 Density (g/cm3): 3.153 MAX. ABS. INTENSITY / VOLUME**2: 21.11997742 RIR: 2.181 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.79 41.00 8.2028 0 1 1 4 15.43 14.25 5.7423 0 0 2 2 16.99 31.32 5.2198 0 2 1 4 17.20 56.24 5.1566 0 1 2 4 20.44 14.96 4.3444 -1 1 1 4 20.65 12.84 4.3005 1 1 1 4 23.16 100.00 3.8409 1 2 0 4 24.06 3.47 3.6985 0 3 1 4 24.41 15.23 3.6470 -1 1 2 4 24.46 49.90 3.6390 0 1 3 4 24.76 7.92 3.5953 1 1 2 4 27.62 1.02 3.2300 0 3 2 4 27.79 16.07 3.2104 -1 2 2 4 28.10 23.47 3.1750 1 2 2 4 28.97 8.00 3.0821 -1 0 3 2 29.43 5.49 3.0354 1 0 3 2 29.80 15.15 2.9985 -1 3 1 4 29.95 14.73 2.9839 1 3 1 4 29.98 1.26 2.9808 -1 1 3 4 30.51 15.93 2.9300 0 4 0 2 31.15 14.48 2.8711 0 0 4 2 32.10 9.47 2.7887 0 1 4 4 32.71 18.27 2.7377 -1 3 2 4 32.98 8.93 2.7156 1 3 2 4 35.30 26.39 2.5428 2 0 0 2 36.17 7.10 2.4831 -1 4 1 4 36.30 8.05 2.4748 1 4 1 4 36.89 2.29 2.4366 -2 1 1 4 37.00 1.25 2.4294 1 1 4 4 37.14 1.20 2.4210 2 1 1 4 37.16 6.68 2.4197 -1 3 3 4 37.52 5.75 2.3969 1 3 3 4 38.70 2.93 2.3267 0 4 3 4 38.90 5.52 2.3152 1 4 2 4 38.93 3.25 2.3135 0 3 4 4 38.94 3.82 2.3130 -1 2 4 4 39.28 1.44 2.2936 -2 1 2 4 39.30 5.66 2.2925 -2 2 1 4 39.41 7.50 2.2865 1 2 4 4 40.00 2.71 2.2540 0 1 5 4 41.57 2.13 2.1722 -2 2 2 4 42.90 2.26 2.1081 1 4 3 4 42.95 1.33 2.1059 -1 0 5 2 43.09 2.90 2.0993 -2 1 3 4 43.17 4.58 2.0956 -1 5 1 4 43.49 5.91 2.0809 1 0 5 2 43.67 2.09 2.0727 -1 1 5 4 43.74 3.22 2.0697 2 1 3 4 45.18 2.15 2.0067 -2 3 2 4 45.34 3.71 2.0004 -1 5 2 4 45.37 4.13 1.9990 0 5 3 4 47.20 10.62 1.9257 0 6 1 4 47.34 19.79 1.9204 2 4 0 4 47.38 1.95 1.9188 -2 0 4 2 47.50 5.51 1.9141 0 0 6 2 48.05 2.75 1.8935 -2 1 4 4 48.17 3.52 1.8891 0 1 6 4 48.62 1.90 1.8727 -2 3 3 4 48.84 2.16 1.8647 2 1 4 4 49.21 1.28 1.8516 2 3 3 4 50.02 1.07 1.8235 1 6 0 4 50.25 1.92 1.8157 0 5 4 4 52.57 1.26 1.7408 -1 6 2 4 52.76 1.68 1.7351 1 6 2 4 53.21 6.50 1.7214 -1 2 6 4 53.59 7.07 1.7100 -1 4 5 4 53.69 1.66 1.7071 -2 5 1 4 53.76 6.67 1.7050 1 2 6 4 53.92 2.12 1.7004 2 3 4 4 54.05 6.05 1.6966 1 4 5 4 55.20 1.81 1.6639 -3 1 1 4 55.86 1.17 1.6458 2 5 2 4 56.51 6.53 1.6284 3 2 0 4 56.65 2.73 1.6248 0 1 7 4 56.94 2.72 1.6173 -3 1 2 4 57.32 1.42 1.6074 0 7 2 4 57.51 1.25 1.6025 0 4 6 4 58.41 3.54 1.5799 0 2 7 4 58.49 2.67 1.5779 -2 5 3 4 58.56 2.03 1.5763 -1 7 1 4 58.70 1.49 1.5727 -2 3 5 4 59.01 5.41 1.5652 2 5 3 4 59.21 3.20 1.5604 3 2 2 4 59.39 1.08 1.5562 1 5 5 4 59.91 2.54 1.5440 -3 3 1 4 60.03 1.28 1.5411 -2 0 6 2 60.20 4.86 1.5371 -2 6 1 4 60.31 1.13 1.5346 -1 7 2 4 60.37 4.23 1.5332 2 6 1 4 61.55 3.83 1.5066 -3 3 2 4 62.06 1.45 1.4955 3 3 2 4 62.41 2.57 1.4880 0 6 5 4 62.66 1.22 1.4826 0 5 6 4 63.20 1.28 1.4712 -1 7 3 4 63.23 2.03 1.4707 2 5 4 4 63.45 1.09 1.4661 1 7 3 4 63.95 1.87 1.4557 -1 3 7 4 64.09 1.35 1.4530 3 4 1 4 64.33 2.32 1.4481 -3 3 3 4 64.42 1.17 1.4463 0 7 4 4 64.53 1.26 1.4441 1 3 7 4 65.07 2.11 1.4335 3 3 3 4 65.46 1.72 1.4258 -3 2 4 4 66.43 1.62 1.4073 3 2 4 4 66.93 3.40 1.3980 -1 8 1 4 67.01 3.15 1.3966 1 8 1 4 67.98 1.85 1.3790 -2 1 7 4 69.57 1.64 1.3513 -2 2 7 4 69.79 2.03 1.3476 2 4 6 4 70.00 2.15 1.3441 0 5 7 4 70.68 2.06 1.3329 2 2 7 4 71.22 1.69 1.3240 -1 6 6 4 72.27 1.63 1.3074 -1 3 8 4 72.89 1.19 1.2977 1 3 8 4 73.45 1.06 1.2891 0 4 8 4 74.16 1.56 1.2786 2 6 5 4 74.65 2.36 1.2714 4 0 0 2 75.71 1.32 1.2563 0 6 7 4 76.05 1.05 1.2515 -2 1 8 4 76.17 2.11 1.2497 -3 2 6 4 76.57 1.38 1.2443 -3 4 5 4 77.39 1.42 1.2332 -1 9 2 4 77.54 1.30 1.2311 3 2 6 4 77.71 2.15 1.2289 3 4 5 4 79.74 2.86 1.2026 -1 8 5 4 80.11 2.66 1.1979 1 8 5 4 80.37 1.58 1.1947 -2 5 7 4 80.38 1.18 1.1946 4 1 3 4 81.42 1.10 1.1820 2 5 7 4 82.75 1.05 1.1663 4 4 0 4 82.78 1.60 1.1659 0 10 1 4 84.18 1.22 1.1502 4 1 4 4 86.90 1.11 1.1209 2 6 7 4 88.76 1.47 1.1022 3 8 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.