Ba O4 Sc2 Agafonov V, Kahn A, Michel D, Guymont M Materials Research Bulletin 18 (1983) 975-981 Crystal structure of Ba Sc2 O4; its relation with Perovskite _cod_database_code 1001251 _database_code_amcsd 0014313 CELL PARAMETERS: 9.8400 5.8100 20.6500 90.000 90.000 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1180.569 Density (g/cm3): 4.915 MAX. ABS. INTENSITY / VOLUME**2: 24.69687295 RIR: 1.636 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.56 66.36 10.3250 0 0 2 2 17.18 9.36 5.1625 0 0 4 2 19.72 4.55 4.5023 -1 1 2 4 19.72 16.02 4.5023 1 1 2 4 19.99 3.71 4.4415 2 0 2 2 19.99 10.77 4.4415 -2 0 2 2 21.96 36.38 4.0470 1 1 3 4 21.96 3.22 4.0470 -1 1 3 4 24.78 38.47 3.5927 1 1 4 4 24.78 8.43 3.5927 -1 1 4 4 25.00 4.76 3.5616 2 0 4 2 25.00 34.53 3.5616 -2 0 4 2 25.89 4.14 3.4417 0 0 6 2 28.01 4.33 3.1850 1 1 5 4 28.01 46.59 3.1850 -1 1 5 4 30.78 4.81 2.9050 0 2 0 2 31.09 100.00 2.8767 0 2 1 4 31.32 98.24 2.8563 3 1 0 4 31.55 96.42 2.8355 -1 1 6 4 31.62 39.79 2.8293 -3 1 1 4 31.62 37.62 2.8293 3 1 1 4 31.73 82.98 2.8202 2 0 6 2 31.73 1.20 2.8202 -2 0 6 2 32.53 6.84 2.7529 -3 1 2 4 32.53 7.19 2.7529 3 1 2 4 33.48 5.68 2.6764 0 2 3 4 33.98 1.02 2.6382 -3 1 3 4 34.75 16.05 2.5812 0 0 8 2 35.32 2.51 2.5411 1 1 7 4 35.32 31.81 2.5411 -1 1 7 4 35.46 1.68 2.5317 0 2 4 4 35.93 6.36 2.4992 -3 1 4 4 35.93 5.93 2.4992 3 1 4 4 36.17 7.72 2.4833 -2 2 1 4 36.17 2.71 2.4833 2 2 1 4 37.59 15.57 2.3930 4 0 2 2 37.59 1.39 2.3930 -4 0 2 2 38.28 45.79 2.3511 -2 2 3 4 38.31 1.34 2.3492 -3 1 5 4 39.28 2.83 2.2939 1 1 8 4 39.28 5.21 2.2939 -1 1 8 4 39.42 3.90 2.2858 2 0 8 2 39.42 1.66 2.2858 -2 0 8 2 40.05 1.51 2.2511 -2 2 4 4 40.05 1.06 2.2511 2 2 4 4 40.63 16.25 2.2208 4 0 4 2 40.63 7.24 2.2208 -4 0 4 2 41.07 1.59 2.1979 -3 1 6 4 41.07 1.60 2.1979 3 1 6 4 42.24 61.88 2.1396 2 2 5 4 42.24 5.75 2.1396 -2 2 5 4 43.84 10.71 2.0650 0 0 10 2 44.79 2.63 2.0235 2 2 6 4 45.31 44.54 2.0013 -4 0 6 2 47.64 3.34 1.9088 1 1 10 4 47.64 1.02 1.9088 -1 1 10 4 47.67 45.35 1.9079 2 2 7 4 47.67 7.47 1.9079 -2 2 7 4 47.77 2.88 1.9041 -2 0 10 2 49.70 1.52 1.8343 -5 1 2 4 49.78 8.18 1.8317 1 3 3 4 50.38 6.76 1.8112 4 2 3 4 50.70 4.98 1.8006 0 2 9 4 50.74 3.94 1.7992 -5 1 3 4 51.06 1.91 1.7888 3 1 9 4 51.06 2.24 1.7888 -3 1 9 4 51.23 2.18 1.7832 1 3 4 4 51.30 1.12 1.7808 -4 0 8 2 52.03 6.38 1.7576 1 1 11 4 52.17 3.98 1.7532 -5 1 4 4 53.05 14.51 1.7263 -1 3 5 4 53.63 13.96 1.7090 -4 2 5 4 53.63 1.75 1.7090 4 2 5 4 53.97 6.84 1.6990 5 1 5 4 54.25 2.22 1.6909 2 2 9 4 54.25 1.92 1.6909 -2 2 9 4 54.86 7.59 1.6735 -3 1 10 4 54.86 7.69 1.6735 3 1 10 4 55.07 10.55 1.6677 3 3 0 4 55.22 6.47 1.6635 -1 3 6 4 55.26 13.88 1.6623 -3 3 1 4 55.26 14.15 1.6623 3 3 1 4 56.08 18.47 1.6400 6 0 0 2 56.11 16.65 1.6390 5 1 6 4 56.56 10.67 1.6273 1 1 12 4 56.67 8.96 1.6243 -2 0 12 2 57.71 1.18 1.5975 1 3 7 4 57.71 11.76 1.5975 -1 3 7 4 58.25 1.83 1.5838 4 2 7 4 58.25 15.55 1.5838 -4 2 7 4 58.34 4.19 1.5816 4 0 10 2 58.54 3.70 1.5767 0 2 11 4 58.58 6.31 1.5758 5 1 7 4 58.58 1.21 1.5758 -5 1 7 4 58.87 2.29 1.5688 -3 1 11 4 58.87 2.11 1.5688 3 1 11 4 61.22 4.57 1.5140 1 1 13 4 61.35 1.18 1.5112 5 1 8 4 61.79 13.78 1.5015 -2 2 11 4 64.11 11.98 1.4525 0 4 0 2 64.29 2.02 1.4489 0 4 1 4 65.34 1.16 1.4281 6 2 0 4 65.52 13.04 1.4247 -6 2 1 4 65.52 14.94 1.4247 6 2 1 4 66.04 1.59 1.4148 1 1 14 4 66.14 1.21 1.4129 -2 0 14 2 66.28 7.14 1.4101 4 0 12 2 67.17 3.41 1.3937 0 2 13 4 67.47 1.15 1.3882 -3 1 13 4 67.47 1.13 1.3882 3 1 13 4 67.72 1.39 1.3837 -5 1 10 4 69.45 2.65 1.3534 -5 3 3 4 69.71 1.75 1.3490 -3 3 9 4 69.71 1.73 1.3490 3 3 9 4 69.95 2.01 1.3450 -2 4 4 4 70.19 1.17 1.3409 2 2 13 4 70.19 6.77 1.3409 -2 2 13 4 70.52 4.79 1.3355 1 3 11 4 71.01 4.29 1.3274 4 2 11 4 71.30 2.34 1.3227 -5 1 11 4 71.42 1.43 1.3208 7 1 4 4 72.15 4.91 1.3092 5 3 5 4 72.93 1.73 1.2972 -7 1 5 4 73.31 9.18 1.2913 2 4 6 4 73.36 3.92 1.2906 0 0 16 2 73.78 1.46 1.2843 6 0 10 2 73.78 1.49 1.2843 -6 0 10 2 73.99 2.07 1.2812 5 3 6 4 74.37 1.61 1.2755 1 3 12 4 74.76 5.40 1.2699 -7 1 6 4 75.14 3.46 1.2644 -5 1 12 4 75.47 1.19 1.2597 2 4 7 4 76.14 4.16 1.2503 5 3 7 4 76.18 2.00 1.2497 -1 1 16 4 76.27 1.61 1.2484 2 0 16 2 76.76 1.65 1.2417 4 4 2 4 76.90 2.46 1.2398 -7 1 7 4 78.48 3.00 1.2187 1 3 13 4 78.72 2.34 1.2156 4 4 4 4 78.95 4.75 1.2126 4 2 13 4 78.96 2.56 1.2125 6 2 9 4 78.96 2.07 1.2125 -6 2 9 4 79.23 1.36 1.2090 -5 1 13 4 79.46 1.55 1.2061 2 2 15 4 80.23 1.55 1.1965 -8 0 4 2 80.92 2.98 1.1880 0 4 10 4 81.91 1.11 1.1761 -3 1 16 4 81.96 8.47 1.1755 -4 4 6 4 83.45 4.75 1.1583 8 0 6 2 84.17 1.16 1.1502 3 3 13 4 84.17 1.02 1.1502 -3 3 13 4 84.44 1.32 1.1472 0 0 18 2 86.40 1.56 1.1262 1 5 4 4 86.76 1.18 1.1224 7 3 3 4 86.93 2.87 1.1207 0 2 17 4 87.21 1.35 1.1178 -3 1 17 4 87.21 1.18 1.1178 3 1 17 4 87.23 1.21 1.1176 -8 2 3 4 87.77 2.47 1.1121 -5 3 11 4 89.32 2.40 1.0968 -7 3 5 4 89.47 6.12 1.0953 3 5 0 4 89.60 4.88 1.0941 -1 5 6 4 89.78 2.49 1.0923 8 2 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.