Ba3 O21 Ta4 Ti4 Groult D, Chailleux J, Raveau B, Deschanvres A Revue de Chimie Minerale 14 (1977) 1-10 Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages _cod_database_code 1001300 _database_code_amcsd 0015379 CELL PARAMETERS: 9.0240 9.0240 11.7900 90.000 90.000 120.000 SPACE GROUP: P6_3/mcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 831.462 Density (g/cm3): 6.642 MAX. ABS. INTENSITY / VOLUME**2: 81.69514063 RIR: 4.005 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.32 1.37 7.8150 1 0 0 6 15.03 15.01 5.8950 0 0 2 2 18.86 1.27 4.7062 1 0 2 12 19.68 1.25 4.5120 1 1 0 6 22.76 7.11 3.9075 2 0 0 6 24.85 98.47 3.5830 1 1 2 12 27.38 80.17 3.2570 2 0 2 12 30.16 100.00 2.9635 1 1 3 12 30.26 48.13 2.9538 2 1 0 12 30.32 1.66 2.9475 0 0 4 2 31.22 60.82 2.8652 2 1 1 24 32.46 28.21 2.7579 1 0 4 12 33.95 16.05 2.6408 2 1 2 24 34.43 28.97 2.6050 3 0 0 6 36.41 12.99 2.4676 1 1 4 12 37.75 6.14 2.3827 3 0 2 12 38.25 4.63 2.3531 2 0 4 12 40.72 8.44 2.2158 2 2 1 12 41.67 4.42 2.1675 3 1 0 12 42.40 18.71 2.1318 3 1 1 24 42.92 5.94 2.1070 2 2 2 12 43.29 3.17 2.0898 1 1 5 12 43.37 2.03 2.0864 2 1 4 24 46.20 8.61 1.9650 0 0 6 2 46.48 5.00 1.9538 4 0 0 6 46.53 17.80 1.9519 3 0 4 12 47.72 6.54 1.9057 1 0 6 12 47.93 4.94 1.8980 3 1 3 24 49.46 7.30 1.8428 2 1 5 24 50.67 23.61 1.8016 1 1 6 12 50.93 1.23 1.7929 3 2 0 12 50.98 17.52 1.7915 2 2 4 12 51.56 3.97 1.7725 3 2 1 24 52.10 2.35 1.7555 2 0 6 12 52.40 22.31 1.7462 3 1 4 24 53.41 17.40 1.7153 3 2 2 24 53.75 16.72 1.7054 4 1 0 12 56.14 21.94 1.6382 4 1 2 24 56.41 13.63 1.6312 3 2 3 24 56.45 1.16 1.6301 2 2 5 12 56.51 15.00 1.6285 4 0 4 12 57.78 5.63 1.5958 3 1 5 24 59.11 4.19 1.5630 5 0 0 6 61.36 6.60 1.5108 5 0 2 12 62.23 5.20 1.4919 3 3 1 12 62.70 11.13 1.4817 2 2 6 12 62.93 6.83 1.4769 4 2 0 12 63.08 2.58 1.4737 0 0 8 2 63.48 2.17 1.4654 4 2 1 24 63.59 9.78 1.4631 2 1 7 24 63.88 2.69 1.4573 3 3 2 12 63.95 1.06 1.4558 3 1 6 24 64.32 1.76 1.4482 1 0 8 12 66.63 3.14 1.4036 5 1 0 12 67.62 9.18 1.3855 4 0 6 12 67.78 3.62 1.3825 4 2 3 24 69.67 1.72 1.3496 2 2 7 12 70.26 4.17 1.3397 3 3 4 12 70.85 3.17 1.3300 3 1 7 24 71.19 1.63 1.3244 3 2 6 24 71.35 4.94 1.3218 5 1 3 24 71.44 1.56 1.3204 4 2 4 24 71.55 1.46 1.3187 2 1 8 24 73.88 4.11 1.2827 3 0 8 12 74.62 2.94 1.2718 6 0 2 12 74.89 1.15 1.2680 3 3 5 12 75.58 3.93 1.2580 1 1 9 12 76.04 1.51 1.2517 4 2 5 24 76.06 2.45 1.2514 5 2 0 12 77.34 1.60 1.2338 2 2 8 12 77.81 2.14 1.2276 3 2 7 24 78.13 8.75 1.2232 5 0 6 12 78.29 1.39 1.2212 4 3 3 24 78.48 2.95 1.2187 3 1 8 24 80.40 5.65 1.1943 3 3 6 12 80.56 2.76 1.1924 5 2 3 24 80.61 3.44 1.1918 6 1 0 12 81.77 1.36 1.1778 4 3 4 24 84.02 10.21 1.1519 5 2 4 24 85.04 1.44 1.1407 1 1 10 12 85.06 6.15 1.1405 6 1 3 24 86.16 2.99 1.1287 2 0 10 12 86.82 2.64 1.1218 3 3 7 12 87.48 1.54 1.1151 4 1 8 24 88.19 1.45 1.1079 4 4 2 12 89.30 1.48 1.0969 7 0 2 12 89.50 1.46 1.0950 2 1 10 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.