Colemanite Burns P C, Hawthorne F C The Canadian Mineralogist 31 (1993) 297-304 Hydrogen bonding in colemanite: An X-ray and structure-energy study _database_code_amcsd 0005295 CELL PARAMETERS: 8.7120 11.2470 6.0910 90.000 110.120 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 560.398 Density (g/cm3): 2.407 MAX. ABS. INTENSITY / VOLUME**2: 3.668608853 RIR: 0.496 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.38 6.06 6.6155 1 1 0 4 15.49 15.70 5.7193 0 0 1 2 15.76 44.49 5.6235 0 2 0 2 17.45 18.54 5.0823 -1 1 1 4 19.15 6.19 4.6341 1 2 0 4 21.73 4.89 4.0902 2 0 0 2 22.17 4.50 4.0099 0 2 1 4 22.21 43.98 4.0022 -1 2 1 4 23.14 50.07 3.8439 2 1 0 4 23.22 3.40 3.8313 1 1 1 4 23.34 3.08 3.8113 -2 1 1 4 26.95 5.51 3.3078 2 2 0 4 27.13 58.00 3.2869 -2 2 1 4 28.47 2.11 3.1354 0 3 1 4 28.50 100.00 3.1317 -1 3 1 4 30.95 41.37 2.8897 2 0 1 2 31.28 10.36 2.8596 0 0 2 2 31.83 16.94 2.8117 0 4 0 2 31.98 5.73 2.7988 2 1 1 4 32.13 13.01 2.7858 -3 1 1 4 32.42 17.55 2.7614 -2 1 2 4 32.45 4.55 2.7590 1 3 1 4 32.54 7.44 2.7515 -2 3 1 4 33.71 4.52 2.6591 1 4 0 4 33.83 6.95 2.6500 3 1 0 4 35.05 6.74 2.5601 -3 2 1 4 35.21 28.56 2.5490 0 2 2 4 35.32 38.86 2.5411 -2 2 2 4 35.58 3.53 2.5233 0 4 1 4 35.61 5.99 2.5214 -1 4 1 4 37.58 20.62 2.3936 1 1 2 4 37.79 13.93 2.3806 -3 1 2 4 38.07 6.80 2.3638 -1 3 2 4 38.99 23.20 2.3099 -2 4 1 4 39.37 1.60 2.2887 2 3 1 4 39.50 1.70 2.2816 -3 3 1 4 40.93 10.43 2.2052 3 3 0 4 41.64 5.91 2.1689 1 5 0 4 42.10 10.29 2.1463 3 1 1 4 42.27 34.12 2.1381 -4 1 1 4 43.22 1.84 2.0933 0 5 1 4 43.24 20.44 2.0922 -1 5 1 4 43.82 19.42 2.0659 -1 4 2 4 44.16 5.00 2.0507 1 3 2 4 44.29 10.15 2.0451 4 0 0 2 44.35 1.34 2.0425 -3 3 2 4 44.46 2.42 2.0378 3 2 1 4 44.46 7.43 2.0375 2 0 2 2 44.74 2.32 2.0255 -4 0 2 2 45.03 17.48 2.0134 -2 0 3 2 45.06 5.65 2.0121 4 1 0 4 45.10 6.37 2.0103 -3 4 1 4 45.23 11.62 2.0049 0 4 2 4 45.23 34.72 2.0049 2 1 2 4 45.71 1.61 1.9847 -1 1 3 4 45.78 3.30 1.9819 -2 1 3 4 46.05 31.57 1.9710 2 5 0 4 46.09 13.73 1.9693 1 5 1 4 46.16 2.33 1.9666 -2 5 1 4 46.39 8.37 1.9575 3 4 0 4 47.46 3.50 1.9156 2 2 2 4 47.93 2.21 1.8980 -1 2 3 4 48.00 23.04 1.8956 -2 2 3 4 48.18 4.54 1.8887 3 3 1 4 48.33 14.80 1.8831 -4 3 1 4 48.43 1.92 1.8796 0 1 3 4 48.57 1.20 1.8745 0 6 0 2 48.62 1.80 1.8725 -3 1 3 4 49.34 5.61 1.8470 1 4 2 4 49.91 1.19 1.8271 1 6 0 4 50.44 3.99 1.8094 -1 5 2 4 51.02 1.78 1.7902 2 3 2 4 51.27 4.43 1.7820 -4 3 2 4 51.29 4.17 1.7813 0 6 1 4 51.31 3.20 1.7806 -1 6 1 4 51.46 2.90 1.7758 -1 3 3 4 51.52 1.50 1.7738 -2 3 3 4 51.59 1.93 1.7717 -3 5 1 4 51.79 1.71 1.7653 -2 5 2 4 52.44 2.49 1.7448 4 0 1 2 52.76 6.31 1.7352 3 5 0 4 53.06 3.10 1.7260 3 4 1 4 53.12 4.16 1.7242 4 1 1 4 53.20 3.88 1.7217 -4 4 1 4 53.24 2.87 1.7206 -4 0 3 2 53.30 1.46 1.7187 -5 1 1 4 53.80 1.47 1.7041 2 6 0 4 53.83 7.45 1.7030 1 6 1 4 53.89 1.13 1.7012 -2 6 1 4 53.91 1.83 1.7008 -4 1 3 4 53.96 3.47 1.6993 0 3 3 4 55.11 1.83 1.6664 4 2 1 4 55.29 2.11 1.6615 -5 2 1 4 55.46 2.21 1.6569 1 5 2 4 55.59 1.51 1.6533 1 2 3 4 55.62 3.28 1.6525 -3 5 2 4 55.88 1.00 1.6453 -4 2 3 4 56.19 1.19 1.6370 -2 4 3 4 56.78 5.69 1.6213 -5 2 2 4 58.51 2.25 1.5776 -5 3 1 4 58.66 3.59 1.5737 -3 4 3 4 58.80 1.28 1.5703 -3 6 1 4 58.91 1.41 1.5678 3 5 1 4 58.91 3.45 1.5677 0 6 2 4 59.07 3.75 1.5638 -4 3 3 4 59.81 1.37 1.5464 -1 7 1 4 60.81 1.02 1.5231 2 1 3 4 60.83 3.25 1.5227 -2 0 4 2 61.26 1.85 1.5132 4 5 0 4 61.79 2.13 1.5014 -1 5 3 4 62.10 2.05 1.4947 1 7 1 4 62.65 5.33 1.4829 2 2 3 4 62.67 1.39 1.4824 -3 1 4 4 63.03 1.12 1.4748 -5 2 3 4 63.10 5.40 1.4733 1 4 3 4 63.92 1.86 1.4563 3 4 2 4 64.21 5.09 1.4505 -5 4 2 4 64.49 1.66 1.4448 4 0 2 2 65.25 1.97 1.4298 0 0 4 2 65.45 1.34 1.4261 -6 1 2 4 65.60 1.60 1.4231 3 6 1 4 66.01 2.50 1.4152 -5 3 3 4 66.85 1.36 1.3994 -2 7 2 4 67.28 1.45 1.3916 -1 3 4 4 67.42 2.40 1.3890 -3 3 4 4 67.89 2.75 1.3807 -4 2 4 4 68.00 2.80 1.3787 4 5 1 4 68.16 2.46 1.3758 -5 5 1 4 68.32 1.19 1.3729 -1 6 3 4 68.38 1.31 1.3719 -2 6 3 4 68.68 2.40 1.3666 -4 5 3 4 69.21 3.72 1.3575 3 5 2 4 70.17 3.69 1.3412 -3 7 2 4 70.20 5.64 1.3407 -6 1 3 4 70.91 1.92 1.3290 1 8 1 4 71.16 2.15 1.3250 6 2 0 4 71.91 1.31 1.3130 -6 2 3 4 73.72 1.69 1.2851 4 4 2 4 73.82 1.27 1.2837 -6 4 1 4 73.98 1.33 1.2813 6 3 0 4 75.15 1.02 1.2642 2 8 1 4 75.53 2.05 1.2588 -4 7 2 4 75.69 1.53 1.2566 -1 7 3 4 75.74 2.39 1.2558 1 3 4 4 76.49 1.43 1.2453 -3 5 4 4 77.23 1.89 1.2353 1 9 0 4 77.33 2.40 1.2339 6 0 1 2 77.43 1.37 1.2326 5 6 0 4 78.31 1.05 1.2209 0 9 1 4 78.56 2.41 1.2176 -3 8 2 4 78.62 1.85 1.2169 5 5 1 4 79.09 1.78 1.2108 -6 1 4 4 79.53 1.06 1.2053 6 2 1 4 79.60 1.38 1.2044 1 4 4 4 80.37 1.52 1.1947 1 9 1 4 80.93 2.01 1.1879 -2 2 5 4 80.97 1.05 1.1874 -4 0 5 2 81.30 1.73 1.1834 5 3 2 4 81.49 1.04 1.1811 -4 8 1 4 82.25 2.64 1.1721 6 3 1 4 82.39 1.29 1.1705 -1 6 4 4 83.45 3.59 1.1583 -6 3 4 4 83.75 1.54 1.1549 -4 8 2 4 84.49 1.34 1.1467 1 5 4 4 84.70 1.48 1.1444 4 6 2 4 84.75 3.28 1.1439 0 0 5 2 85.29 2.56 1.1380 0 1 5 4 87.51 1.41 1.1148 -3 4 5 4 87.79 1.50 1.1119 -3 9 2 4 89.60 1.82 1.0941 0 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.