Ba O14 P4 V2 Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B Acta Crystallographica C47 (1991) 2437-2438 Structure of barium vanadium(III) diphosphate _cod_database_code 1001510 _database_code_amcsd 0010267 CELL PARAMETERS: 10.6213 10.4685 9.7063 90.000 103.074 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1051.259 Density (g/cm3): 3.709 MAX. ABS. INTENSITY / VOLUME**2: 14.59267364 RIR: 1.281 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.03 2.26 7.3586 1 1 0 4 14.01 66.31 6.3209 -1 1 1 4 16.41 33.62 5.4011 1 1 1 4 18.77 30.67 4.7274 0 0 2 2 19.38 5.68 4.5793 0 2 1 4 20.63 1.72 4.3047 -1 1 2 4 22.42 2.02 3.9648 -2 0 2 2 23.95 48.93 3.7148 1 1 2 4 24.19 24.36 3.6793 2 2 0 4 24.51 24.49 3.6320 -2 2 1 4 25.39 100.00 3.5083 0 2 2 4 26.82 45.61 3.3238 -3 1 1 4 26.97 23.02 3.3065 1 3 0 4 27.23 7.73 3.2755 3 1 0 4 27.93 53.07 3.1939 -1 3 1 4 28.24 15.73 3.1604 -2 2 2 4 28.97 76.17 3.0821 -1 1 3 4 29.25 1.60 3.0531 1 3 1 4 29.66 32.36 3.0123 -3 1 2 4 30.75 53.30 2.9078 3 1 1 4 31.89 9.36 2.8065 -1 3 2 4 32.66 2.72 2.7418 1 1 3 4 33.17 35.44 2.7006 2 2 2 4 33.18 2.25 2.6999 0 2 3 4 34.20 20.36 2.6219 1 3 2 4 34.26 14.70 2.6171 0 4 0 2 34.36 1.91 2.6100 -2 2 3 4 34.68 31.33 2.5865 4 0 0 2 35.01 15.52 2.5627 -3 1 3 4 35.60 4.86 2.5220 -4 0 2 2 36.33 40.06 2.4730 -3 3 1 4 37.99 4.93 2.3684 -1 3 3 4 38.04 1.51 2.3658 -4 2 1 4 38.07 1.92 2.3639 -1 1 4 4 38.07 7.05 2.3637 0 0 4 2 38.11 4.68 2.3612 -2 0 4 2 38.53 3.76 2.3363 -3 3 2 4 38.55 10.77 2.3353 2 4 0 4 38.84 2.19 2.3188 4 2 0 4 39.35 12.35 2.2897 0 4 2 4 39.41 10.96 2.2865 3 3 1 4 39.67 12.52 2.2720 -4 2 2 4 40.73 5.65 2.2151 2 4 1 4 40.96 17.55 2.2031 1 3 3 4 41.34 7.88 2.1842 -2 4 2 4 41.98 9.36 2.1524 -2 2 4 4 41.99 1.09 2.1519 1 1 4 4 42.92 5.45 2.1070 -3 3 3 4 43.47 1.37 2.0818 -5 1 1 4 43.52 2.72 2.0796 4 0 2 2 43.94 23.62 2.0606 3 1 3 4 44.25 4.61 2.0468 3 3 2 4 44.49 6.31 2.0362 -5 1 2 4 44.77 1.24 2.0243 -1 5 1 4 45.02 1.50 2.0137 2 4 2 4 45.03 1.26 2.0134 0 4 3 4 45.66 21.68 1.9870 1 5 1 4 45.77 17.00 1.9824 -4 0 4 2 45.94 2.12 1.9753 -2 4 3 4 47.02 9.16 1.9327 4 2 2 4 47.60 10.87 1.9104 -5 1 3 4 47.69 10.00 1.9069 -1 1 5 4 49.05 17.17 1.8574 2 2 4 4 49.19 3.26 1.8523 1 5 2 4 49.55 9.04 1.8397 4 4 0 4 50.24 9.21 1.8160 -4 4 2 4 50.29 8.36 1.8145 -5 3 1 4 50.71 1.33 1.8004 3 3 3 4 51.00 2.09 1.7909 2 4 3 4 51.82 2.05 1.7643 1 1 5 4 52.08 7.05 1.7561 -1 5 3 4 52.14 13.79 1.7541 0 4 4 4 52.19 2.76 1.7526 -6 0 2 2 52.38 3.25 1.7469 3 1 4 4 52.50 1.86 1.7430 -5 1 4 4 52.89 1.44 1.7311 5 1 2 4 53.19 2.25 1.7219 3 5 1 4 53.48 3.61 1.7133 -4 4 3 4 54.10 8.54 1.6951 -1 3 5 4 54.44 1.42 1.6854 1 5 3 4 55.28 2.01 1.6619 -6 2 2 4 55.59 7.75 1.6532 2 6 0 4 55.75 2.34 1.6489 -2 6 1 4 56.03 4.29 1.6412 -3 5 3 4 56.16 12.92 1.6378 6 2 0 4 56.46 1.04 1.6297 -3 3 5 4 57.12 3.29 1.6125 -2 0 6 2 57.73 6.22 1.5970 -2 6 2 4 57.90 1.36 1.5926 1 3 5 4 58.40 8.17 1.5802 -4 4 4 4 58.56 2.41 1.5763 4 0 4 2 58.90 1.05 1.5680 -5 1 5 4 59.37 2.52 1.5567 -3 1 6 4 59.70 1.16 1.5490 -2 4 5 4 60.03 3.30 1.5410 -2 2 6 4 60.39 1.29 1.5327 0 4 5 4 60.66 7.96 1.5266 2 6 2 4 61.24 1.47 1.5135 6 0 2 2 61.57 7.25 1.5062 -6 2 4 4 61.60 2.96 1.5055 -4 0 6 2 61.68 1.47 1.5037 3 1 5 4 61.95 4.66 1.4979 -7 1 1 4 62.04 3.24 1.4959 -7 1 2 4 62.20 5.58 1.4925 1 1 6 4 62.63 3.08 1.4833 3 5 3 4 62.78 1.31 1.4801 1 7 0 4 63.18 1.54 1.4717 5 5 0 4 63.28 7.03 1.4696 -1 7 1 4 63.84 2.50 1.4579 -7 1 3 4 63.98 2.82 1.4551 1 7 1 4 64.04 6.56 1.4539 6 2 2 4 64.39 1.70 1.4468 -4 2 6 4 64.55 7.36 1.4438 -5 3 5 4 64.77 1.33 1.4394 -4 4 5 4 64.99 3.40 1.4349 -3 3 6 4 65.00 3.12 1.4348 5 3 3 4 65.54 6.70 1.4242 -5 5 3 4 65.64 1.55 1.4223 2 6 3 4 65.74 3.94 1.4205 2 0 6 2 65.77 9.18 1.4199 5 5 1 4 66.62 1.45 1.4037 0 6 4 4 66.65 4.40 1.4032 -2 6 4 4 66.84 2.14 1.3996 7 1 1 4 67.20 4.30 1.3931 3 3 5 4 67.45 2.48 1.3885 -7 3 1 4 67.64 2.52 1.3851 6 4 1 4 67.73 3.35 1.3834 -3 5 5 4 68.44 3.89 1.3709 2 2 6 4 68.59 2.99 1.3681 -1 1 7 4 69.01 1.04 1.3610 7 3 0 4 69.03 1.91 1.3605 1 5 5 4 69.27 1.62 1.3565 -7 3 3 4 69.63 4.12 1.3503 4 4 4 4 69.65 1.96 1.3500 0 4 6 4 70.45 1.02 1.3366 4 6 2 4 71.26 1.62 1.3233 1 7 3 4 71.65 2.17 1.3172 7 1 2 4 71.88 2.66 1.3135 -5 3 6 4 72.04 1.96 1.3110 2 6 4 4 72.15 1.85 1.3092 7 3 1 4 72.24 1.38 1.3078 -7 1 5 4 72.42 3.10 1.3050 -4 4 6 4 74.55 1.16 1.2728 -3 3 7 4 75.37 3.20 1.2611 0 8 2 4 75.38 2.27 1.2609 -5 1 7 4 76.01 2.36 1.2520 5 1 5 4 76.69 2.69 1.2426 -2 8 2 4 77.14 4.51 1.2365 -6 6 2 4 77.75 1.81 1.2283 6 2 4 4 77.89 1.02 1.2264 6 6 0 4 77.93 1.67 1.2259 -8 2 4 4 77.99 2.21 1.2251 6 4 3 4 78.16 5.46 1.2228 -5 7 1 4 79.60 1.40 1.2043 -7 5 3 4 81.09 1.10 1.1860 5 3 5 4 81.23 1.15 1.1843 -1 7 5 4 81.23 1.18 1.1842 -2 6 6 4 81.34 1.55 1.1829 -8 4 2 4 81.42 5.17 1.1819 -2 2 8 4 81.61 1.33 1.1797 -6 4 6 4 82.46 1.09 1.1696 4 6 4 4 82.48 1.03 1.1694 0 6 6 4 82.59 1.55 1.1682 -6 6 4 4 83.17 1.58 1.1615 -4 8 2 4 83.19 3.18 1.1613 -3 7 5 4 83.35 1.86 1.1594 8 4 0 4 83.99 1.52 1.1522 -1 5 7 4 84.40 1.30 1.1476 1 7 5 4 84.75 1.35 1.1439 1 9 1 4 85.73 1.64 1.1333 -8 0 6 2 86.40 1.05 1.1262 -7 1 7 4 86.87 1.01 1.1213 7 5 2 4 87.76 1.35 1.1122 -9 3 1 4 87.81 1.58 1.1117 4 4 6 4 88.22 2.19 1.1075 4 8 2 4 88.46 1.53 1.1052 9 1 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.