O11 U2 V2 Tancret N, Obbade S, Abraham F European Journal of Solid State and Inorganic Chemistry 32 (1995) 195-207 Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7 from powder X-ray diffraction data _cod_database_code 1004107 _database_code_amcsd 0012594 CELL PARAMETERS: 5.6492 13.1841 7.2844 90.000 119.745 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 471.055 Density (g/cm3): 5.315 MAX. ABS. INTENSITY / VOLUME**2: 118.3431345 RIR: 7.250 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.43 33.67 6.5921 0 2 0 2 18.09 29.11 4.9049 1 0 0 2 19.31 100.00 4.5970 1 1 0 4 19.45 34.86 4.5638 0 2 1 4 21.32 22.89 4.1670 -1 2 1 4 22.60 5.81 3.9351 1 2 0 4 24.67 19.08 3.6090 0 3 1 4 24.80 60.61 3.5900 -1 0 2 2 26.19 15.62 3.4029 -1 3 1 4 27.05 2.93 3.2960 0 4 0 2 28.22 8.28 3.1623 0 0 2 2 28.31 6.96 3.1528 -1 2 2 4 28.83 1.62 3.0963 1 1 1 4 29.04 26.38 3.0751 0 1 2 4 30.59 42.28 2.9229 0 4 1 4 31.37 2.34 2.8512 0 2 2 4 31.84 33.39 2.8102 -1 4 1 4 32.66 1.81 2.7416 -2 1 1 4 33.32 3.02 2.6888 -2 0 2 2 34.03 13.28 2.6346 -2 1 2 4 34.78 13.30 2.5791 1 3 1 4 36.64 4.31 2.4524 2 0 0 2 36.93 3.39 2.4338 0 5 1 4 37.29 17.06 2.4111 2 1 0 4 38.01 3.76 2.3675 -1 5 1 4 38.08 11.85 2.3631 -2 3 1 4 38.77 4.28 2.3225 1 5 0 4 39.19 1.69 2.2985 2 2 0 4 39.66 10.39 2.2726 -1 2 3 4 40.91 1.55 2.2057 1 0 2 2 41.08 8.52 2.1974 0 6 0 2 41.51 8.14 2.1755 1 1 2 4 42.63 4.68 2.1207 -2 2 3 4 42.64 5.86 2.1206 -1 3 3 4 43.47 1.48 2.0818 0 1 3 4 43.61 2.04 2.0756 0 6 1 4 44.54 1.57 2.0341 -1 6 1 4 44.61 10.00 2.0312 1 5 1 4 44.75 1.29 2.0252 0 5 2 4 45.22 2.33 2.0053 1 6 0 4 45.45 4.14 1.9955 -2 3 3 4 46.54 15.48 1.9512 -1 4 3 4 47.33 8.68 1.9205 -2 5 1 4 47.85 9.82 1.9008 0 3 3 4 47.99 1.80 1.8957 2 2 1 4 48.35 1.49 1.8825 -3 0 2 2 48.58 5.99 1.8742 -1 6 2 4 48.87 5.47 1.8636 -3 1 2 4 49.18 9.74 1.8525 -2 4 3 4 50.57 2.00 1.8048 2 3 1 4 50.58 1.35 1.8045 0 6 2 4 50.85 2.31 1.7958 2 5 0 4 50.87 7.28 1.7950 -2 0 4 2 51.15 1.79 1.7857 -1 0 4 2 51.23 1.53 1.7834 -1 5 3 4 51.66 5.68 1.7695 -1 1 4 4 52.01 5.50 1.7583 1 7 0 4 52.24 2.24 1.7510 -3 2 1 4 52.86 1.23 1.7319 -2 2 4 4 53.69 1.34 1.7071 -2 5 3 4 54.04 6.75 1.6969 2 4 1 4 54.68 1.69 1.6786 -3 3 1 4 55.35 5.68 1.6598 -3 3 3 4 55.78 3.19 1.6480 0 8 0 2 55.83 5.24 1.6466 0 5 3 4 56.27 5.80 1.6350 3 0 0 2 56.90 3.46 1.6182 0 7 2 4 57.20 1.60 1.6105 1 2 3 4 57.82 1.07 1.5948 0 8 1 4 57.90 4.01 1.5927 2 0 2 2 57.98 6.46 1.5907 -3 4 1 4 58.04 3.37 1.5891 -3 1 4 4 58.13 1.88 1.5869 3 2 0 4 58.82 2.79 1.5699 0 1 4 4 59.14 1.39 1.5622 1 8 0 4 59.50 1.62 1.5536 1 3 3 4 59.73 1.42 1.5482 2 2 2 4 59.97 2.60 1.5426 -2 7 2 4 61.96 4.34 1.4977 -1 8 2 4 62.14 3.22 1.4938 2 7 0 4 62.63 4.56 1.4832 1 4 3 4 62.67 3.74 1.4824 -3 5 3 4 63.67 1.12 1.4615 0 8 2 4 65.13 2.18 1.4323 1 7 2 4 65.65 1.13 1.4222 -2 2 5 4 66.63 1.10 1.4036 1 9 0 4 66.75 2.21 1.4014 -4 0 2 2 67.36 1.99 1.3901 -2 6 4 4 67.41 1.18 1.3893 3 2 1 4 68.23 1.31 1.3746 -4 2 3 4 68.61 1.31 1.3679 2 8 0 4 68.93 1.08 1.3623 -1 8 3 4 70.35 2.00 1.3382 -1 3 5 4 70.40 2.05 1.3375 -4 1 4 4 70.71 2.80 1.3322 -2 4 5 4 70.76 1.74 1.3315 -3 7 2 4 70.90 1.17 1.3292 0 9 2 4 71.15 1.69 1.3251 1 0 4 2 71.46 1.06 1.3202 1 8 2 4 71.99 2.08 1.3117 3 6 0 4 72.41 2.14 1.3051 3 4 1 4 73.01 1.52 1.2959 -1 7 4 4 73.21 3.21 1.2929 -4 4 3 4 73.35 1.13 1.2907 0 10 1 4 73.43 1.41 1.2896 2 6 2 4 73.64 1.08 1.2864 -2 9 2 4 73.77 1.45 1.2844 2 2 3 4 74.14 1.61 1.2790 -3 4 5 4 76.89 1.63 1.2399 -1 5 5 4 77.15 1.69 1.2364 -4 4 1 4 78.31 1.36 1.2209 4 1 0 4 78.37 1.17 1.2201 3 1 2 4 78.40 1.30 1.2197 -3 7 4 4 78.62 2.10 1.2170 2 4 3 4 78.85 1.84 1.2140 -2 8 4 4 79.08 1.26 1.2110 0 7 4 4 80.48 1.18 1.1934 -4 3 5 4 81.51 1.32 1.1809 0 4 5 4 83.24 1.74 1.1607 3 8 0 4 84.62 1.65 1.1453 2 8 2 4 86.79 1.24 1.1222 -4 5 5 4 86.82 1.20 1.1218 1 11 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.