Ba2 O9 V3 Dhaussy A, Abraham F, Mentre O, Steinfink H Journal of Solid State Chemistry 126 (1996) 328-335 Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) vanadate containing rutile-like chains of V O6 octahedra _cod_database_code 1004116 _database_code_amcsd 0013901 CELL PARAMETERS: 9.3020 5.9690 8.1180 90.000 113.960 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 411.900 Density (g/cm3): 4.607 MAX. ABS. INTENSITY / VOLUME**2: 48.50839250 RIR: 3.428 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.41 4.63 8.5004 1 0 0 2 12.24 3.35 7.2300 -1 0 1 2 18.16 13.51 4.8849 1 1 0 4 18.80 5.42 4.7198 1 0 1 2 19.08 3.40 4.6505 0 1 1 4 19.28 7.58 4.6030 -1 1 1 4 19.40 1.76 4.5754 -2 0 1 2 20.90 5.55 4.2502 2 0 0 2 21.91 7.52 4.0568 -1 0 2 2 24.04 28.24 3.7023 1 1 1 4 24.51 4.15 3.6313 -2 1 1 4 24.63 3.50 3.6150 -2 0 2 2 25.73 4.93 3.4622 2 1 0 4 26.57 100.00 3.3552 -1 1 2 4 28.12 10.63 3.1736 2 0 1 2 28.80 44.73 3.0996 -3 0 1 2 28.87 20.53 3.0921 -2 1 2 4 29.94 35.80 2.9845 0 2 0 2 29.94 5.55 2.9843 1 0 2 2 31.78 9.25 2.8160 1 2 0 4 31.94 56.84 2.8022 2 1 1 4 32.33 5.24 2.7688 0 2 1 4 32.45 5.35 2.7587 -1 2 1 4 32.55 4.44 2.7508 -3 1 1 4 33.57 12.08 2.6693 1 1 2 4 34.51 5.49 2.5991 -3 1 2 4 35.59 1.40 2.5225 1 2 1 4 35.93 6.82 2.4997 -2 2 1 4 36.33 8.86 2.4728 0 0 3 2 36.70 1.71 2.4485 -1 1 3 4 36.80 1.84 2.4425 2 2 0 4 37.31 6.99 2.4100 -3 0 3 2 38.33 4.77 2.3481 3 0 1 2 38.72 21.70 2.3253 0 2 2 4 39.14 2.54 2.3015 -2 2 2 4 39.39 3.38 2.2877 -4 0 2 2 40.36 2.04 2.2347 -3 1 3 4 41.54 1.61 2.1741 2 2 1 4 41.99 5.23 2.1516 1 0 3 2 42.01 8.52 2.1509 -4 1 1 4 42.03 30.27 2.1499 -3 2 1 4 43.62 2.52 2.0751 -3 2 2 4 44.68 8.22 2.0284 -2 0 4 2 44.78 4.90 2.0241 1 1 3 4 45.30 3.78 2.0020 4 1 0 4 45.44 1.20 1.9960 -1 2 3 4 46.15 16.70 1.9669 -4 1 3 4 46.36 6.94 1.9584 -3 0 4 2 46.90 1.86 1.9373 1 3 0 4 47.33 2.08 1.9205 -2 1 4 4 47.65 3.30 1.9086 3 0 2 2 47.77 2.97 1.9041 0 2 3 4 48.25 4.52 1.8861 -1 1 4 4 48.55 5.84 1.8750 -3 2 3 4 49.12 3.88 1.8546 0 0 4 2 49.38 4.01 1.8454 3 2 1 4 49.61 1.22 1.8375 2 0 3 2 49.73 4.72 1.8334 1 3 1 4 49.98 1.86 1.8247 -4 2 1 4 50.49 1.21 1.8075 -4 0 4 2 50.66 1.10 1.8020 2 3 0 4 51.13 12.13 1.7864 -1 3 2 4 51.39 3.14 1.7780 -5 0 3 2 51.53 1.09 1.7735 -5 1 2 4 51.64 5.50 1.7700 4 1 1 4 52.08 1.31 1.7562 2 1 3 4 52.43 12.23 1.7453 1 2 3 4 52.50 3.47 1.7431 -2 3 2 4 53.80 3.41 1.7040 -5 1 3 4 53.93 2.72 1.7001 5 0 0 2 54.43 10.51 1.6858 2 3 1 4 54.71 8.02 1.6776 -2 2 4 4 55.51 2.13 1.6555 1 3 2 4 55.54 1.13 1.6545 -1 2 4 4 56.18 2.86 1.6374 -3 2 4 4 56.26 3.22 1.6351 5 1 0 4 57.30 1.26 1.6079 3 2 2 4 58.53 2.14 1.5769 -5 2 2 4 58.68 2.36 1.5733 3 0 3 2 59.03 3.38 1.5647 2 2 3 4 59.32 5.65 1.5579 -5 2 1 4 59.66 3.91 1.5498 -6 0 2 2 60.36 2.64 1.5335 4 1 2 4 60.87 5.29 1.5218 -1 1 5 4 61.56 1.75 1.5064 -4 3 1 4 61.85 1.39 1.5001 -6 1 2 4 61.99 2.30 1.4971 -4 1 5 4 62.21 8.21 1.4922 0 4 0 2 62.90 2.14 1.4777 -6 1 3 4 62.92 1.20 1.4772 5 2 0 4 63.71 1.01 1.4608 1 3 3 4 64.12 1.22 1.4524 4 3 0 4 64.36 1.86 1.4476 2 1 4 4 64.44 1.27 1.4460 -5 0 5 2 64.74 1.53 1.4399 0 1 5 4 64.79 5.72 1.4389 -4 3 3 4 66.49 2.26 1.4063 -1 3 4 4 66.77 3.50 1.4011 4 2 2 4 67.27 3.06 1.3917 3 2 3 4 68.18 2.02 1.3754 -6 2 2 4 69.07 1.09 1.3598 5 2 1 4 69.29 2.72 1.3562 4 3 1 4 69.62 1.03 1.3504 2 4 1 4 69.97 5.22 1.3445 -3 4 1 4 70.51 1.41 1.3356 1 1 5 4 70.91 1.19 1.3291 -6 0 5 2 70.94 1.77 1.3286 0 2 5 4 71.11 1.46 1.3258 -5 3 3 4 71.54 1.80 1.3188 -3 1 6 4 72.66 5.54 1.3013 -5 2 5 4 72.77 1.42 1.2996 -6 2 4 4 72.94 4.17 1.2969 -4 1 6 4 73.23 1.46 1.2925 -7 1 2 4 73.23 1.17 1.2925 5 3 0 4 74.08 2.25 1.2799 6 2 0 4 74.23 1.77 1.2776 0 4 3 4 74.84 1.23 1.2687 -3 4 3 4 75.48 1.04 1.2594 3 4 1 4 75.90 2.62 1.2536 -7 1 4 4 76.84 1.10 1.2406 4 3 2 4 77.30 2.04 1.2344 -1 3 5 4 77.54 1.55 1.2312 5 2 2 4 77.91 1.53 1.2262 1 4 3 4 78.01 1.16 1.2249 2 1 5 4 78.06 1.14 1.2242 -2 2 6 4 78.30 1.11 1.2211 -4 3 5 4 78.83 1.17 1.2141 -6 2 5 4 79.09 1.37 1.2108 3 2 4 4 79.12 1.10 1.2104 -6 3 3 4 79.79 2.44 1.2020 -2 4 4 4 80.76 2.41 1.1900 7 1 0 4 81.01 1.94 1.1869 -3 4 4 4 82.09 1.33 1.1741 6 0 2 2 83.52 1.68 1.1576 4 1 4 4 84.62 3.11 1.1452 -1 5 2 4 86.17 1.16 1.1286 1 3 5 4 86.85 1.07 1.1215 5 4 0 4 87.15 1.18 1.1184 -3 3 6 4 87.25 2.20 1.1174 2 5 1 4 88.18 1.19 1.1080 7 1 1 4 88.49 1.85 1.1049 -4 3 6 4 89.76 1.11 1.0926 6 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.