Inderborite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060871 Burns P C, Hawthorne F C The Canadian Mineralogist 32 (1994) 533-539 Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet structure CELL PARAMETERS: 12.1330 7.4250 19.2090 90.000 90.400 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 1.024 Ca 0.00000 0.21603 0.25000 1.000 0.792 B 0.09960 0.95790 0.14969 1.000 0.826 B 0.40490 0.35130 0.14216 1.000 0.766 B 0.05530 0.63670 0.16590 1.000 0.974 O -0.01566 -0.01470 0.16342 1.000 0.882 Oh 0.12220 0.00840 0.07619 1.000 1.368 Oh 0.16100 0.07040 0.19957 1.000 1.000 O 0.13300 0.76740 0.16103 1.000 1.182 O -0.05450 0.66670 0.15821 1.000 1.222 Oh 0.08620 0.45950 0.17832 1.000 1.364 Oh 0.29878 0.37760 0.17594 1.000 1.137 Oh 0.38810 0.36330 0.06469 1.000 1.201 O 0.44230 0.74710 0.03743 1.000 2.359 O 0.36040 0.82760 0.16832 1.000 1.375 O 0.16420 0.45070 0.02170 1.000 2.426 H 0.19600 -0.02000 0.06400 1.000 4.011 H 0.21300 0.15800 0.18400 1.000 4.011 H 0.16380 0.44400 0.17500 1.000 4.011 H 0.30700 0.42000 0.22240 1.000 4.011 H 0.36700 0.25000 0.04500 1.000 4.011 H 0.41100 0.74800 0.08270 1.000 4.011 H 0.40600 0.84900 0.01800 1.000 4.011 H 0.28320 0.80600 0.17200 1.000 4.011 H 0.36900 0.95500 0.16800 1.000 4.011 H 0.11900 0.39900 0.05600 1.000 4.011 H 0.23100 0.48500 0.04500 1.000 4.011 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 6 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 3.417078817 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.21 64.77 9.6043 0 0 2 13.98 80.64 6.3332 1 1 0 14.60 100.00 6.0664 2 0 0 14.71 2.83 6.0212 -1 1 1 14.74 1.49 6.0082 1 1 1 16.74 4.02 5.2960 -1 1 2 16.80 3.14 5.2783 1 1 2 17.34 2.87 5.1128 2 0 2 18.48 2.51 4.8021 0 0 4 19.68 22.73 4.5109 -1 1 3 19.75 13.41 4.4945 1 1 3 23.71 4.83 3.7525 2 0 4 23.97 2.81 3.7125 0 2 0 24.42 6.53 3.6450 0 2 1 25.48 6.61 3.4962 -3 1 1 25.73 8.30 3.4628 0 2 2 26.71 8.32 3.3378 -3 1 2 26.82 5.97 3.3245 3 1 2 27.10 34.91 3.2900 -1 1 5 27.19 42.48 3.2793 1 1 5 27.78 11.65 3.2117 0 2 3 27.87 55.55 3.2014 0 0 6 28.18 1.57 3.1666 2 2 0 28.59 18.00 3.1226 2 2 1 29.45 10.59 3.0332 4 0 0 29.67 22.82 3.0106 -2 2 2 29.74 13.70 3.0041 2 2 2 30.85 3.83 2.8982 -4 0 2 31.23 7.56 2.8639 -3 1 4 31.26 4.70 2.8613 -1 1 6 31.42 3.67 2.8471 3 1 4 31.47 2.06 2.8425 -2 2 3 31.51 1.64 2.8395 -2 0 6 31.57 7.64 2.8343 2 2 3 33.85 1.39 2.6480 -2 2 4 33.97 11.40 2.6392 2 2 4 34.28 15.99 2.6159 -3 1 5 34.50 1.03 2.6000 3 1 5 35.10 17.53 2.5564 4 0 4 35.71 6.82 2.5145 1 1 7 37.07 3.33 2.4251 1 3 0 37.08 3.50 2.4245 0 2 6 37.37 11.98 2.4064 -1 3 1 37.38 3.43 2.4055 1 3 1 37.46 7.04 2.4011 0 0 8 37.71 3.06 2.3852 -3 1 6 37.95 7.38 2.3707 3 1 6 38.59 4.29 2.3330 -4 2 1 38.64 2.49 2.3300 4 2 1 39.05 3.09 2.3065 5 1 0 39.31 3.54 2.2918 -5 1 1 39.38 1.17 2.2882 5 1 1 39.44 3.16 2.2845 -4 2 2 39.73 1.72 2.2689 -1 3 3 39.76 2.14 2.2668 1 3 3 39.97 23.37 2.2554 -2 2 6 40.11 1.49 2.2478 -1 1 8 40.15 13.54 2.2461 -5 1 2 40.22 3.11 2.2424 1 1 8 40.50 4.35 2.2272 2 0 8 40.84 1.82 2.2096 -4 0 6 40.85 3.11 2.2090 -4 2 3 40.90 5.44 2.2067 0 2 7 41.00 11.40 2.2013 4 2 3 41.53 5.32 2.1746 -5 1 3 41.71 9.97 2.1654 5 1 3 41.72 2.94 2.1650 3 1 7 41.75 6.96 2.1635 1 3 4 42.76 1.37 2.1145 -4 2 4 42.84 2.05 2.1111 3 3 0 42.96 1.83 2.1055 4 2 4 43.09 11.48 2.0993 -3 3 1 43.41 5.20 2.0845 -5 1 4 43.56 3.30 2.0775 -2 2 7 43.95 1.72 2.0603 3 3 2 44.14 10.34 2.0520 -1 3 5 44.82 1.62 2.0221 6 0 0 44.86 1.36 2.0203 1 1 9 44.96 1.19 2.0161 0 2 8 45.13 1.85 2.0088 -4 2 5 45.36 1.19 1.9992 4 2 5 45.47 3.90 1.9948 -3 1 8 45.74 5.58 1.9835 3 1 8 45.75 1.02 1.9833 -5 1 5 45.79 3.87 1.9815 -6 0 2 46.03 1.25 1.9717 5 1 5 46.95 3.79 1.9352 -3 3 4 46.97 5.46 1.9344 -1 3 6 47.04 4.38 1.9318 1 3 6 47.09 5.70 1.9300 3 3 4 47.32 4.18 1.9209 0 0 10 47.91 6.75 1.8987 -4 2 6 48.17 2.46 1.8890 -4 0 8 48.17 7.24 1.8890 4 2 6 48.49 3.90 1.8773 -5 1 6 48.52 6.36 1.8762 4 0 8 48.74 4.94 1.8683 -6 0 4 48.82 6.71 1.8655 5 1 6 49.08 1.56 1.8563 0 4 0 49.17 1.05 1.8530 -3 3 5 49.69 1.93 1.8349 -2 0 10 49.90 1.91 1.8276 2 0 10 49.99 1.92 1.8244 3 1 9 51.48 3.82 1.7750 2 4 0 51.55 1.74 1.7728 -2 2 9 51.60 4.96 1.7714 -5 1 7 51.66 1.04 1.7692 -6 2 1 51.73 5.20 1.7672 2 4 1 51.79 5.06 1.7653 -3 3 6 51.97 4.71 1.7594 3 3 6 52.34 1.86 1.7481 -6 2 2 52.40 2.49 1.7461 -2 4 2 52.44 4.81 1.7448 2 4 2 52.46 4.53 1.7443 6 2 2 52.88 1.43 1.7314 0 4 4 53.09 2.10 1.7249 5 3 1 53.68 1.14 1.7074 -1 3 8 53.73 5.15 1.7060 0 2 10 53.81 1.29 1.7037 5 3 2 54.35 2.08 1.6879 7 1 0 54.55 2.38 1.6824 -7 1 1 54.62 1.30 1.6804 7 1 1 54.97 2.90 1.6704 5 3 3 55.21 1.37 1.6638 2 4 4 56.09 1.55 1.6397 2 2 10 56.48 3.22 1.6294 7 1 3 57.57 3.00 1.6011 1 3 9 57.58 5.32 1.6007 0 0 12 58.47 1.95 1.5784 -4 4 1 58.51 1.04 1.5775 4 4 1 58.60 1.47 1.5754 4 2 9 58.75 2.56 1.5717 -5 1 9 59.10 1.10 1.5633 3 1 11 59.36 1.29 1.5569 -6 2 6 59.63 2.45 1.5504 -2 0 12 59.70 1.19 1.5489 6 2 6 60.02 1.60 1.5414 6 0 8 61.94 1.26 1.4982 3 3 9 62.74 1.99 1.4809 -5 1 10 65.96 1.19 1.4161 1 3 11 66.79 1.03 1.4006 0 4 9 66.94 1.89 1.3978 4 2 11 67.00 1.18 1.3967 -5 1 11 67.15 1.64 1.3940 3 5 0 67.48 2.41 1.3879 8 2 2 68.16 1.06 1.3758 1 5 5 70.25 1.12 1.3399 1 1 14 70.54 1.32 1.3351 1 3 12 71.07 1.86 1.3264 9 1 0 71.50 1.09 1.3196 4 4 8 72.23 1.24 1.3079 -6 2 10 72.70 2.08 1.3006 -9 1 3 75.72 1.49 1.2561 -1 1 15 79.39 1.09 1.2070 -3 1 15 82.08 1.12 1.1741 9 3 2 89.95 1.23 1.0907 -3 5 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.