Colemanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050331 Burns P C, Hawthorne F C The Canadian Mineralogist 31 (1993) 297-304 Hydrogen bonding in colemanite: An X-ray and structure-energy study CELL PARAMETERS: 8.725311 11.25503 6.095978 90.00000 110.1452 90.00000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 13.38 6.06 6.6231 1 1 0 15.49 15.70 5.7230 0 0 1 15.76 44.49 5.6275 0 2 0 17.44 18.54 5.0875 -1 1 1 19.14 6.19 4.6384 1 2 0 21.70 4.89 4.0958 2 0 0 22.16 4.50 4.0126 0 2 1 22.19 43.98 4.0058 -1 2 1 23.11 50.07 3.8488 2 1 0 23.20 3.40 3.8342 1 1 1 23.31 3.08 3.8166 -2 1 1 26.92 5.51 3.3115 2 2 0 27.09 58.00 3.2909 -2 2 1 28.44 2.11 3.1376 0 3 1 28.47 100.00 3.1344 -1 3 1 30.91 41.37 2.8924 2 0 1 31.25 10.36 2.8615 0 0 2 31.80 16.94 2.8138 0 4 0 31.94 5.73 2.8014 2 1 1 32.08 13.01 2.7899 -3 1 1 32.38 17.55 2.7644 -2 1 2 32.42 4.55 2.7611 1 3 1 32.50 7.44 2.7544 -2 3 1 33.67 4.52 2.6611 1 4 0 33.77 6.95 2.6535 3 1 0 34.99 6.74 2.5636 -3 2 1 35.18 28.56 2.5507 0 2 2 35.27 38.86 2.5438 -2 2 2 35.54 3.53 2.5251 0 4 1 35.57 5.99 2.5234 -1 4 1 37.54 20.62 2.3952 1 1 2 37.73 13.93 2.3837 -3 1 2 38.03 6.80 2.3656 -1 3 2 38.94 23.20 2.3121 -2 4 1 39.32 1.60 2.2907 2 3 1 39.43 1.70 2.2844 -3 3 1 40.86 10.43 2.2077 3 3 0 41.59 5.91 2.1705 1 5 0 42.04 10.29 2.1485 3 1 1 42.19 34.12 2.1413 -4 1 1 43.17 1.84 2.0948 0 5 1 43.19 20.44 2.0938 -1 5 1 43.77 19.42 2.0675 -1 4 2 44.11 5.00 2.0521 1 3 2 44.21 10.15 2.0479 4 0 0 44.28 1.34 2.0449 -3 3 2 44.39 2.42 2.0399 3 2 1 44.41 7.43 2.0391 2 0 2 44.66 2.32 2.0285 -4 0 2 44.97 17.48 2.0152 -2 0 3 44.98 5.65 2.0148 4 1 0 45.03 6.37 2.0126 -3 4 1 45.18 11.62 2.0063 0 4 2 45.17 34.72 2.0064 2 1 2 45.66 1.61 1.9861 -1 1 3 45.72 3.30 1.9837 -2 1 3 45.99 31.57 1.9727 2 5 0 46.04 13.73 1.9707 1 5 1 46.10 2.33 1.9683 -2 5 1 46.32 8.37 1.9595 3 4 0 47.40 3.50 1.9171 2 2 2 47.87 2.21 1.8994 -1 2 3 47.93 23.04 1.8972 -2 2 3 48.11 4.54 1.8906 3 3 1 48.24 14.80 1.8856 -4 3 1 48.37 1.92 1.8809 0 1 3 48.51 1.20 1.8758 0 6 0 48.55 1.80 1.8746 -3 1 3 49.28 5.61 1.8483 1 4 2 49.85 1.19 1.8285 1 6 0 50.37 3.99 1.8107 -1 5 2 50.95 1.78 1.7916 2 3 2 51.17 4.43 1.7844 -4 3 2 51.23 4.17 1.7825 0 6 1 51.25 3.20 1.7819 -1 6 1 51.40 2.90 1.7771 -1 3 3 51.45 1.50 1.7753 -2 3 3 51.51 1.93 1.7735 -3 5 1 51.71 1.71 1.7669 -2 5 2 52.35 2.49 1.7467 4 0 1 52.67 6.31 1.7369 3 5 0 52.98 3.10 1.7276 3 4 1 53.03 4.16 1.7261 4 1 1 53.10 3.88 1.7238 -4 4 1 53.14 2.87 1.7228 -4 0 3 53.19 1.46 1.7212 -5 1 1 53.72 1.47 1.7055 2 6 0 53.76 7.45 1.7042 1 6 1 53.82 1.13 1.7026 -2 6 1 53.81 1.83 1.7030 -4 1 3 53.89 3.47 1.7005 0 3 3 55.02 1.83 1.6682 4 2 1 55.18 2.11 1.6639 -5 2 1 55.39 2.21 1.6580 1 5 2 55.52 1.51 1.6544 1 2 3 55.53 3.28 1.6542 -3 5 2 55.78 1.00 1.6473 -4 2 3 56.11 1.19 1.6384 -2 4 3 56.67 5.69 1.6236 -5 2 2 58.39 2.25 1.5798 -5 3 1 58.57 3.59 1.5753 -3 4 3 58.71 1.28 1.5718 -3 6 1 58.82 1.41 1.5692 3 5 1 58.83 3.45 1.5688 0 6 2 58.97 3.75 1.5656 -4 3 3 59.72 1.37 1.5475 -1 7 1 60.73 1.02 1.5242 2 1 3 60.74 3.25 1.5240 -2 0 4 61.15 1.85 1.5148 4 5 0 61.70 2.13 1.5025 -1 5 3 62.01 2.05 1.4958 1 7 1 62.56 5.33 1.4839 2 2 3 62.57 1.39 1.4838 -3 1 4 62.90 1.12 1.4768 -5 2 3 63.02 5.40 1.4743 1 4 3 63.83 1.86 1.4575 3 4 2 64.08 5.09 1.4524 -5 4 2 64.39 1.66 1.4462 4 0 2 65.17 1.97 1.4308 0 0 4 65.30 1.34 1.4283 -6 1 2 65.50 1.60 1.4243 3 6 1 65.88 2.50 1.4170 -5 3 3 66.75 1.36 1.4006 -2 7 2 67.19 1.45 1.3925 -1 3 4 67.31 2.40 1.3903 -3 3 4 67.76 2.75 1.3822 -4 2 4 67.88 2.80 1.3800 4 5 1 68.02 2.46 1.3775 -5 5 1 68.23 1.19 1.3739 -1 6 3 68.27 1.31 1.3731 -2 6 3 68.55 2.40 1.3681 -4 5 3 69.10 3.72 1.3586 3 5 2 70.05 3.69 1.3424 -3 7 2 70.04 5.64 1.3427 -6 1 3 70.81 1.92 1.3300 1 8 1 71.00 2.15 1.3268 6 2 0 71.74 1.31 1.3149 -6 2 3 73.60 1.69 1.2863 4 4 2 73.65 1.27 1.2855 -6 4 1 73.82 1.33 1.2829 6 3 0 75.03 1.02 1.2652 2 8 1 75.39 2.05 1.2600 -4 7 2 75.57 1.53 1.2575 -1 7 3 75.63 2.39 1.2567 1 3 4 76.36 1.43 1.2464 -3 5 4 77.11 1.89 1.2362 1 9 0 77.17 2.40 1.2354 6 0 1 77.27 1.37 1.2339 5 6 0 78.19 1.05 1.2217 0 9 1 78.43 2.41 1.2187 -3 8 2 78.47 1.85 1.2181 5 5 1 78.91 1.78 1.2124 -6 1 4 79.36 1.06 1.2067 6 2 1 79.48 1.38 1.2052 1 4 4 80.24 1.52 1.1956 1 9 1 80.79 2.01 1.1888 -2 2 5 80.82 1.05 1.1886 -4 0 5 81.15 1.73 1.1846 5 3 2 81.34 1.04 1.1823 -4 8 1 82.08 2.64 1.1734 6 3 1 82.26 1.29 1.1714 -1 6 4 83.26 3.59 1.1598 -6 3 4 83.59 1.54 1.1560 -4 8 2 84.36 1.34 1.1474 1 5 4 84.55 1.48 1.1453 4 6 2 84.61 3.28 1.1446 0 0 5 85.15 2.56 1.1387 0 1 5 87.34 1.41 1.1157 -3 4 5 87.63 1.50 1.1128 -3 9 2 89.45 1.82 1.0948 0 3 5 89.45 1.82 1.0948 0 3 5 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.