Ba3 Nb4 O21 Ti4 Groult D, Chailleux J, Choisnet J, Raveau B Journal of Solid State Chemistry 19 (1976) 235-244 Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 a structure en cages _cod_database_code 1001029 _database_code_amcsd 0013337 CELL PARAMETERS: 9.0400 9.0400 11.7670 90.000 90.000 120.000 SPACE GROUP: P6_3/mcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 832.786 Density (g/cm3): 5.228 MAX. ABS. INTENSITY / VOLUME**2: 56.97493427 RIR: 3.549 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.87 4.79 4.7034 1 0 2 12 19.64 10.53 4.5200 1 1 0 6 21.06 4.97 4.2194 1 1 1 12 24.84 50.87 3.5844 1 1 2 12 27.37 59.93 3.2590 2 0 2 12 30.17 100.00 2.9624 1 1 3 12 30.20 32.65 2.9590 2 1 0 12 31.17 63.77 2.8697 2 1 1 24 32.51 13.66 2.7538 1 0 4 12 33.91 5.25 2.6435 2 1 2 24 34.36 18.40 2.6096 3 0 0 6 38.27 12.01 2.3517 2 0 4 12 39.89 2.14 2.2600 2 2 0 6 40.65 10.80 2.2194 2 2 1 12 42.33 29.16 2.1353 3 1 1 24 43.35 5.63 2.0874 1 1 5 12 44.48 5.16 2.0370 3 1 2 24 46.29 14.23 1.9612 0 0 6 2 46.39 8.41 1.9572 4 0 0 6 46.52 11.17 1.9522 3 0 4 12 47.81 2.35 1.9024 1 0 6 12 47.88 8.98 1.8997 3 1 3 24 49.05 1.78 1.8572 4 0 2 12 49.49 10.76 1.8419 2 1 5 24 50.74 14.38 1.7991 1 1 6 12 50.96 8.04 1.7922 2 2 4 12 51.47 5.76 1.7755 3 2 1 24 52.17 1.06 1.7534 2 0 6 12 52.37 17.22 1.7470 3 1 4 24 53.33 13.11 1.7178 3 2 2 24 53.65 6.75 1.7084 4 1 0 12 56.05 9.33 1.6406 4 1 2 24 56.28 2.11 1.6347 2 1 6 24 56.34 9.58 1.6330 3 2 3 24 56.47 9.69 1.6295 4 0 4 12 57.77 7.63 1.5959 3 1 5 24 58.99 7.49 1.5658 5 0 0 6 60.38 3.19 1.5329 3 2 4 24 61.26 5.58 1.5131 5 0 2 12 62.11 4.65 1.4945 3 3 1 12 62.73 5.34 1.4812 2 2 6 12 62.81 5.72 1.4795 4 2 0 12 63.22 2.30 1.4709 0 0 8 2 63.36 4.30 1.4680 4 2 1 24 63.67 9.24 1.4616 2 1 7 24 64.46 1.27 1.4456 1 0 8 12 66.50 2.49 1.4061 5 1 0 12 67.63 6.99 1.3854 4 0 6 12 67.68 4.13 1.3843 4 2 3 24 67.80 1.01 1.3822 5 0 4 12 69.72 2.25 1.3488 2 2 7 12 70.18 1.66 1.3410 3 3 4 12 70.90 4.94 1.3292 3 1 7 24 71.24 2.98 1.3236 5 1 3 24 71.36 1.01 1.3218 4 2 4 24 73.98 1.97 1.2814 3 0 8 12 74.48 1.23 1.2739 6 0 2 12 74.82 1.44 1.2689 3 3 5 12 75.73 3.90 1.2560 1 1 9 12 75.97 2.59 1.2526 4 2 5 24 77.83 2.67 1.2273 3 2 7 24 78.10 8.56 1.2236 5 0 6 12 78.16 1.47 1.2229 4 3 3 24 78.55 1.63 1.2178 3 1 8 24 80.37 3.01 1.1948 3 3 6 12 80.42 1.72 1.1941 5 2 3 24 80.44 3.68 1.1939 6 1 0 12 81.49 1.72 1.1811 4 2 6 24 83.90 5.66 1.1533 5 2 4 24 84.90 6.46 1.1422 6 1 3 24 86.33 2.25 1.1269 2 0 10 12 86.80 2.21 1.1220 3 3 7 12 86.99 1.65 1.1201 3 1 9 24 87.92 1.27 1.1106 4 2 7 24 89.12 1.14 1.0987 7 0 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.