Ba3 H16 O26 P6 Rzaigui M, Averbuch-Pouchot M, Durif A Acta Crystallographica C48 (1992) 241-243 Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate _cod_database_code 1007199 _database_code_amcsd 0010270 CELL PARAMETERS: 20.9800 7.2270 17.4400 90.000 119.560 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 2300.113 Density (g/cm3): 2.927 MAX. ABS. INTENSITY / VOLUME**2: 31.58265483 RIR: 3.513 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.88 3.61 8.1281 -2 0 2 2 11.67 100.00 7.5850 0 0 2 2 13.18 8.05 6.7193 1 1 0 4 15.95 3.14 5.5553 -1 1 2 4 17.04 1.39 5.2049 -4 0 2 2 18.22 5.22 4.8698 -3 1 2 4 18.54 6.84 4.7865 2 0 2 2 19.07 2.03 4.6539 3 1 0 4 19.17 1.19 4.6295 1 1 2 4 19.46 1.96 4.5623 4 0 0 2 19.97 32.54 4.4471 -1 1 3 4 21.99 1.05 4.0420 3 1 1 4 23.46 4.97 3.7925 0 0 4 2 23.87 6.84 3.7281 1 1 3 4 24.03 9.90 3.7030 -3 1 4 4 24.53 8.00 3.6285 -5 1 2 4 24.64 3.01 3.6135 0 2 0 2 25.17 19.21 3.5386 -5 1 3 4 25.31 37.72 3.5193 -5 1 1 4 25.34 10.87 3.5152 0 2 1 4 26.10 9.38 3.4137 -2 2 1 4 26.53 9.20 3.3596 2 2 0 4 27.00 2.04 3.3019 -2 2 2 4 27.06 4.40 3.2954 -6 0 4 2 27.11 9.88 3.2887 -5 1 4 4 27.33 4.73 3.2627 4 0 2 2 27.38 8.50 3.2579 5 1 0 4 28.23 4.73 3.1612 2 2 1 4 29.06 1.73 3.0725 1 1 4 4 29.12 2.28 3.0668 -2 2 3 4 29.37 1.34 3.0415 6 0 0 2 29.64 3.19 3.0144 2 0 4 2 30.03 7.82 2.9753 -1 1 5 4 30.11 1.81 2.9683 -4 2 2 4 30.14 7.22 2.9650 -5 1 5 4 30.40 22.26 2.9400 0 2 3 4 30.50 1.66 2.9313 5 1 1 4 30.63 1.27 2.9191 3 1 3 4 30.84 1.45 2.8996 -4 0 6 2 31.01 2.21 2.8839 2 2 2 4 31.11 1.85 2.8752 -4 2 3 4 31.59 2.08 2.8326 4 2 0 4 31.72 6.21 2.8208 -2 0 6 2 32.35 1.38 2.7677 -7 1 3 4 32.75 9.64 2.7342 -7 1 2 4 33.06 5.53 2.7094 -6 0 6 2 33.18 1.25 2.7004 -4 2 4 4 33.34 5.01 2.6875 -3 1 6 4 33.93 2.85 2.6423 4 2 1 4 33.99 5.72 2.6377 -5 1 6 4 34.41 6.96 2.6061 5 1 2 4 34.46 1.58 2.6025 -8 0 4 2 34.64 6.68 2.5899 2 2 3 4 35.51 3.33 2.5283 0 0 6 2 35.60 1.23 2.5222 -1 1 6 4 35.84 1.72 2.5055 -6 2 2 4 35.88 4.41 2.5028 -6 2 3 4 36.64 3.88 2.4523 7 1 0 4 36.87 3.81 2.4380 6 0 2 2 36.92 1.41 2.4349 -6 2 4 4 37.13 2.06 2.4216 4 2 2 4 37.58 8.34 2.3932 4 0 4 2 38.45 3.23 2.3415 -5 1 7 4 38.70 1.39 2.3270 6 2 0 4 38.75 2.93 2.3236 0 2 5 4 38.88 2.25 2.3162 -6 2 5 4 38.91 1.36 2.3148 2 2 4 4 39.59 6.67 2.2763 -3 3 1 4 39.86 1.03 2.2615 -4 2 6 4 40.33 1.61 2.2363 1 1 6 4 40.57 1.64 2.2235 -2 2 6 4 40.88 2.11 2.2073 -9 1 3 4 41.00 9.21 2.2013 -3 3 3 4 41.01 4.29 2.2006 4 2 3 4 41.20 1.84 2.1912 3 1 5 4 41.39 1.90 2.1815 -1 1 7 4 41.44 1.54 2.1790 -9 1 5 4 41.83 1.13 2.1598 3 3 1 4 41.90 5.69 2.1560 -6 0 8 2 42.63 1.90 2.1208 -8 2 3 4 42.91 2.05 2.1076 1 3 3 4 43.01 1.48 2.1031 -3 3 4 4 43.12 4.41 2.0978 -10 0 4 2 43.31 1.12 2.0891 -5 3 2 4 43.37 1.22 2.0862 -5 1 8 4 43.68 3.10 2.0723 2 2 5 4 43.70 2.13 2.0716 0 2 6 4 43.70 2.81 2.0713 -2 0 8 2 43.75 1.69 2.0692 7 1 2 4 43.85 1.54 2.0645 -9 1 1 4 43.87 3.71 2.0636 -8 2 5 4 44.16 3.33 2.0508 -4 2 7 4 44.66 1.40 2.0292 -10 0 6 2 44.85 1.10 2.0210 6 2 2 4 44.92 1.57 2.0177 -5 3 4 4 45.00 4.44 2.0147 -10 0 2 2 45.09 1.81 2.0105 5 3 0 4 45.14 1.77 2.0084 -6 2 7 4 45.78 4.43 1.9822 -3 3 5 4 47.28 1.17 1.9226 3 3 3 4 48.34 2.09 1.8828 -8 2 7 4 48.49 1.71 1.8774 -7 3 3 4 48.86 1.20 1.8640 2 2 6 4 49.06 1.47 1.8569 4 0 6 2 49.23 1.52 1.8507 5 1 5 4 49.35 2.69 1.8466 -10 0 8 2 49.39 1.69 1.8452 -7 1 9 4 49.51 1.63 1.8409 -11 1 5 4 49.85 1.89 1.8294 9 1 1 4 49.85 3.40 1.8293 -7 3 1 4 50.11 1.92 1.8204 1 3 5 4 50.25 1.63 1.8157 -7 3 5 4 50.36 2.32 1.8121 4 2 5 4 50.52 1.17 1.8068 0 4 0 2 50.60 2.38 1.8040 -10 2 5 4 50.75 1.60 1.7988 -10 2 3 4 50.87 1.12 1.7950 -1 3 6 4 51.57 3.34 1.7723 2 4 0 4 52.91 1.11 1.7305 3 1 7 4 53.21 2.43 1.7215 -3 3 7 4 53.60 1.23 1.7098 -1 1 9 4 53.90 1.46 1.7011 -10 2 1 4 54.13 1.16 1.6944 -4 2 9 4 54.16 3.06 1.6934 7 3 1 4 54.27 2.73 1.6903 2 4 2 4 55.42 1.08 1.6580 -9 3 5 4 55.67 1.05 1.6510 -4 4 4 4 56.46 1.01 1.6299 -2 2 9 4 56.88 1.39 1.6188 -11 1 9 4 58.18 1.67 1.5857 9 1 3 4 58.68 1.06 1.5734 -9 3 7 4 59.41 1.19 1.5557 1 3 7 4 59.66 1.45 1.5497 2 4 4 4 59.76 1.12 1.5474 -7 1 11 4 60.36 1.40 1.5334 -4 4 6 4 60.92 1.26 1.5208 12 0 0 2 61.00 1.63 1.5190 7 3 3 4 61.30 1.49 1.5121 4 2 7 4 61.53 1.18 1.5072 4 0 8 2 62.59 1.06 1.4841 -8 4 4 4 62.67 1.05 1.4824 -3 3 9 4 64.34 1.06 1.4479 -11 1 11 4 64.48 1.25 1.4451 -9 3 9 4 67.37 1.10 1.3900 2 4 6 4 68.72 1.76 1.3659 -2 2 11 4 69.63 1.35 1.3502 -8 4 8 4 72.51 1.17 1.3036 -9 3 11 4 73.19 1.17 1.2932 -3 5 6 4 78.29 1.09 1.2212 -12 4 2 4 79.85 1.15 1.2012 7 5 2 4 83.00 1.15 1.1635 12 4 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.