Ba2 O112 P8 W32 Lamire M, Labbe P, Goreaud M, Raveau B Journal of Solid State Chemistry 71 (1987) 342-348 Ba2 P8 W32 O112: Structural study in comparison with the K and Rb diphosphate tungsten bronzes with hexagonal tunnels _cod_database_code 1001724 _database_code_amcsd 0013605 CELL PARAMETERS: 17.9100 7.4800 17.0606 90.000 114.739 90.000 SPACE GROUP: A2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 2075.792 Density (g/cm3): 6.557 MAX. ABS. INTENSITY / VOLUME**2: 114.8804036 RIR: 5.705 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.43 31.37 16.2663 1 0 0 2 10.88 5.50 8.1331 2 0 0 2 12.04 1.54 7.3531 -2 0 2 2 14.58 1.77 6.0767 1 0 2 2 15.54 6.25 5.7026 -3 0 2 2 16.35 2.79 5.4221 3 0 0 2 18.84 2.17 4.7109 2 0 2 2 19.69 1.29 4.5094 -1 1 3 4 19.96 1.10 4.4476 -2 1 3 4 19.97 24.22 4.4471 -4 0 2 2 20.90 1.04 4.2502 0 1 3 4 21.92 1.46 4.0553 -3 0 4 2 22.96 90.55 3.8737 0 0 4 2 23.64 3.02 3.7636 3 0 2 2 23.79 100.00 3.7400 0 2 0 2 24.21 1.74 3.6766 -4 0 4 2 24.42 7.65 3.6449 1 2 0 4 24.86 92.07 3.5820 -5 0 2 2 25.78 22.52 3.4564 1 0 4 2 26.23 4.73 3.3980 2 2 0 4 26.74 2.60 3.3336 -2 2 2 4 28.54 6.19 3.1274 -3 2 2 4 28.75 1.28 3.1054 4 0 2 2 29.00 3.34 3.0786 3 2 0 4 29.40 3.30 3.0383 2 0 4 2 31.25 16.13 2.8623 -4 2 2 4 31.53 1.62 2.8377 -3 0 6 2 32.10 1.17 2.7882 -1 2 4 4 32.37 20.09 2.7659 -4 0 6 2 32.53 1.60 2.7528 4 2 0 4 33.30 56.15 2.6906 0 2 4 4 33.59 1.32 2.6678 3 0 4 2 34.06 24.62 2.6320 5 0 2 2 34.12 13.82 2.6279 -5 0 6 2 34.68 45.33 2.5869 -5 2 2 4 35.36 12.28 2.5384 1 2 4 4 39.55 2.28 2.2788 6 0 2 2 40.57 12.47 2.2238 -4 2 6 4 41.97 24.54 2.1524 5 2 2 4 42.02 13.87 2.1502 -5 2 6 4 44.56 1.13 2.0333 8 0 0 2 44.75 1.44 2.0254 -1 0 8 2 45.65 11.00 1.9872 -9 0 4 2 46.68 1.82 1.9460 6 2 2 4 46.91 11.94 1.9369 0 0 8 2 47.58 1.44 1.9113 -8 2 4 4 48.69 19.91 1.8700 0 4 0 2 49.68 8.72 1.8352 1 0 8 2 50.50 2.72 1.8074 9 0 0 2 50.99 9.23 1.7910 -10 0 4 2 52.12 13.03 1.7549 -9 2 4 4 52.88 10.38 1.7313 -9 0 8 2 52.96 1.08 1.7290 -9 2 2 4 53.13 3.98 1.7238 -4 4 2 4 53.26 10.02 1.7199 0 2 8 4 53.77 8.25 1.7049 5 0 6 2 53.78 8.84 1.7046 -4 0 10 2 53.85 2.33 1.7026 -5 0 10 2 54.49 16.44 1.6840 0 4 4 4 55.43 18.08 1.6577 -5 4 2 4 55.80 12.37 1.6475 1 2 8 4 55.90 5.20 1.6447 1 4 4 4 56.55 1.68 1.6273 9 2 0 4 56.58 7.06 1.6266 10 0 0 2 56.65 1.66 1.6247 -10 0 8 2 57.01 9.24 1.6153 -10 2 4 4 58.77 10.02 1.5712 -9 2 8 4 58.81 2.15 1.5703 6 0 6 2 59.60 8.19 1.5513 5 2 6 4 59.61 11.97 1.5511 -4 2 10 4 59.67 1.80 1.5496 -5 2 10 4 59.69 7.43 1.5492 -4 4 6 4 60.76 10.36 1.5244 5 4 2 4 60.79 5.78 1.5236 -5 4 6 4 62.24 10.60 1.4917 10 2 0 4 62.31 2.82 1.4901 -10 2 8 4 64.34 3.88 1.4478 6 2 6 4 68.96 5.64 1.3618 -9 4 4 4 69.54 5.70 1.3518 -9 0 12 2 69.93 6.21 1.3453 0 4 8 4 71.72 4.59 1.3160 10 0 4 2 72.11 5.07 1.3098 1 4 8 4 72.77 1.79 1.2996 9 4 0 4 73.17 5.45 1.2935 -10 4 4 4 74.17 2.54 1.2785 -14 0 6 2 74.66 8.42 1.2713 -9 2 12 4 74.72 6.87 1.2704 -9 4 8 4 75.46 5.90 1.2599 5 4 6 4 75.46 5.95 1.2598 -4 4 10 4 75.52 1.68 1.2590 -5 4 10 4 76.39 3.32 1.2467 1 0 12 2 76.40 2.97 1.2467 0 6 0 2 76.78 6.07 1.2414 10 2 4 4 77.83 5.35 1.2273 10 4 0 4 77.86 1.06 1.2268 -14 0 2 2 77.89 1.34 1.2264 -10 4 8 4 79.17 4.12 1.2098 -14 2 6 4 79.70 2.61 1.2031 -4 0 14 2 79.74 1.61 1.2025 6 4 6 4 79.80 2.57 1.2018 -14 0 10 2 79.92 1.30 1.2004 -4 6 2 4 81.03 4.38 1.1867 0 6 4 4 81.36 4.44 1.1827 1 2 12 4 81.80 3.72 1.1774 -5 6 2 4 82.20 1.18 1.1727 1 6 4 4 82.81 1.15 1.1657 -14 2 2 4 83.67 1.43 1.1558 5 2 10 4 83.89 1.83 1.1533 6 0 10 2 84.62 3.41 1.1453 -4 2 14 4 84.72 3.34 1.1442 -14 2 10 4 85.42 1.95 1.1366 -4 6 6 4 86.35 3.82 1.1267 5 6 2 4 86.38 2.15 1.1263 -5 6 6 4 88.77 2.63 1.1021 6 2 10 4 89.45 5.24 1.0955 -9 4 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.