Ba(OH)2.3H2O Lutz H D, Kellersohn T, Vogt T Acta Crystallographica C46 (1990) 361-363 Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction _database_code_amcsd 0010106 CELL PARAMETERS: 7.6400 11.4030 5.9650 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 519.664 Density (g/cm3): 2.880 MAX. ABS. INTENSITY / VOLUME**2: 24.66521249 RIR: 2.788 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.54 100.00 5.7015 0 2 0 2 16.77 40.00 5.2855 0 1 1 4 18.87 83.15 4.7017 1 0 1 4 20.43 12.31 4.3467 1 1 1 8 23.29 34.38 3.8200 2 0 0 2 24.54 93.77 3.6274 1 2 1 8 24.58 24.94 3.6222 2 1 0 4 27.83 18.93 3.2055 0 3 1 4 28.12 50.09 3.1735 2 2 0 4 28.84 3.62 3.0960 2 1 1 8 29.96 4.13 2.9825 0 0 2 2 30.24 27.19 2.9559 1 3 1 8 31.38 15.46 2.8507 0 4 0 2 31.94 11.80 2.8017 2 2 1 8 33.19 54.43 2.6993 1 1 2 8 33.25 1.38 2.6944 2 3 0 4 33.92 26.04 2.6428 0 2 2 4 35.96 5.93 2.4976 1 2 2 8 36.60 33.47 2.4555 2 3 1 8 36.87 34.44 2.4377 1 4 1 8 38.29 3.06 2.3508 2 0 2 4 38.43 11.36 2.3421 3 0 1 4 39.27 38.58 2.2942 3 1 1 8 39.44 24.16 2.2847 2 4 0 4 40.21 34.09 2.2430 1 3 2 8 41.55 14.46 2.1733 2 2 2 8 41.69 14.31 2.1665 3 2 1 8 42.36 4.04 2.1335 2 4 1 8 42.43 2.21 2.1302 0 5 1 4 43.94 9.93 2.0608 0 4 2 4 44.14 3.18 2.0519 1 5 1 8 45.36 3.57 1.9993 2 3 2 8 45.49 11.85 1.9940 3 3 1 8 45.59 4.73 1.9897 1 4 2 8 46.35 18.67 1.9588 0 1 3 4 46.37 3.81 1.9582 2 5 0 4 46.91 8.76 1.9367 3 0 2 4 47.61 1.98 1.9100 4 0 0 2 47.63 8.84 1.9094 3 1 2 8 47.86 14.54 1.9005 0 6 0 2 48.31 9.99 1.8838 4 1 0 4 48.96 2.31 1.8605 2 5 1 8 49.72 6.73 1.8338 3 2 2 8 50.31 6.85 1.8137 2 4 2 8 50.43 7.11 1.8097 3 4 1 8 50.83 1.89 1.7963 4 1 1 8 51.84 5.52 1.7637 2 0 3 4 51.87 13.18 1.7628 1 5 2 8 51.89 11.63 1.7620 1 6 1 8 51.90 3.91 1.7618 0 3 3 4 52.50 12.87 1.7430 2 1 3 8 52.83 5.58 1.7330 4 2 1 8 53.07 4.83 1.7256 3 3 2 8 53.71 4.51 1.7066 4 3 0 4 53.88 6.28 1.7015 2 6 0 4 54.46 4.25 1.6849 2 2 3 8 56.30 8.75 1.6340 3 5 1 8 57.50 1.45 1.6028 0 6 2 4 57.53 3.04 1.6020 3 4 2 8 57.61 8.93 1.5999 2 3 3 8 57.90 1.60 1.5927 4 1 2 8 58.76 1.73 1.5715 0 7 1 4 60.36 3.97 1.5334 4 4 1 8 61.86 2.59 1.4999 2 4 3 8 61.91 6.23 1.4987 0 5 3 4 61.93 1.72 1.4984 2 7 0 4 62.72 4.15 1.4813 4 3 2 8 62.88 1.43 1.4779 2 6 2 8 62.96 2.90 1.4762 3 5 2 8 62.98 4.35 1.4758 3 6 1 8 63.36 6.80 1.4679 5 1 1 8 63.54 4.51 1.4643 4 5 0 4 64.15 8.55 1.4517 1 1 4 8 65.48 2.47 1.4254 0 8 0 2 66.54 5.30 1.4053 1 7 2 8 67.09 6.78 1.3952 2 5 3 8 67.96 7.39 1.3793 5 3 1 8 68.07 4.47 1.3774 4 0 3 4 68.63 1.91 1.3675 4 1 3 8 68.72 5.98 1.3659 1 3 4 8 68.83 4.54 1.3641 1 8 1 8 69.07 1.56 1.3599 5 0 2 4 69.27 3.93 1.3565 3 6 2 8 69.67 1.32 1.3497 2 2 4 8 70.31 5.15 1.3389 4 2 3 8 70.40 5.09 1.3373 3 7 1 8 70.52 1.94 1.3354 2 8 0 4 71.29 5.14 1.3228 5 2 2 8 73.21 2.97 1.2928 2 6 3 8 73.61 1.28 1.2869 3 0 4 4 73.66 1.53 1.2861 0 8 2 4 74.15 2.11 1.2787 3 1 4 8 75.06 3.63 1.2655 6 1 0 4 75.44 3.62 1.2601 0 7 3 4 75.78 2.32 1.2553 3 2 4 8 76.24 1.25 1.2488 2 4 4 8 76.40 1.80 1.2466 3 7 2 8 76.76 4.08 1.2416 5 5 1 8 76.86 3.96 1.2402 4 4 3 8 76.92 2.03 1.2394 4 7 0 4 77.49 4.39 1.2318 1 5 4 8 77.82 4.58 1.2274 5 4 2 8 78.47 1.72 1.2189 3 3 4 8 78.47 1.50 1.2188 2 8 2 8 78.56 1.84 1.2176 3 8 1 8 78.64 1.24 1.2166 6 2 1 8 79.36 1.76 1.2074 6 3 0 4 80.21 2.88 1.1967 2 7 3 8 81.68 1.36 1.1789 2 9 1 8 81.69 1.26 1.1787 1 0 5 4 82.19 1.87 1.1729 3 4 4 8 82.87 1.19 1.1649 6 1 2 8 83.80 2.71 1.1543 1 2 5 8 83.94 2.80 1.1528 1 9 2 8 84.37 1.79 1.1480 3 8 2 8 85.26 1.39 1.1383 0 3 5 4 85.74 1.08 1.1331 2 1 5 8 86.71 1.25 1.1230 4 3 4 8 86.92 1.32 1.1207 3 5 4 8 87.08 1.70 1.1192 6 3 2 8 87.45 3.91 1.1153 4 6 3 8 87.54 1.63 1.1144 3 9 1 8 87.80 2.07 1.1118 6 5 0 4 88.16 2.22 1.1082 1 10 1 8 88.38 1.77 1.1059 5 6 2 8 89.45 2.12 1.0955 5 7 1 8 89.75 1.57 1.0927 2 10 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.