Bergslagite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060243 Hansen S, Falth L, Johnson O Zeitschrift fur Kristallographie 166 (1984) 73-80 Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions Note: anisoB's from ICSD CELL PARAMETERS: 4.8760 7.7810 10.1000 90.000 90.050 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.99850 0.11170 0.32840 1.000 0.730 Be 0.55100 0.41470 0.33810 1.000 0.620 As 0.47900 0.27511 0.07950 1.000 0.410 O 0.24000 0.41370 0.03100 1.000 0.990 O 0.67790 0.28970 0.45290 1.000 0.970 O 0.69060 0.34520 0.19920 1.000 0.930 O 0.31060 0.10440 0.14390 1.000 0.990 OH 0.22260 0.41270 0.33080 1.000 0.940 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 15.37561745 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.37 24.70 6.1639 0 1 1 17.56 5.62 5.0500 0 0 2 18.19 55.04 4.8760 1 0 0 20.97 43.82 4.2360 0 1 2 21.51 1.35 4.1318 1 1 0 22.86 39.49 3.8905 0 2 0 23.27 5.00 3.8232 1 1 1 25.38 14.81 3.5093 -1 0 2 25.40 47.28 3.5062 1 0 2 27.89 100.00 3.1990 -1 1 2 27.91 77.65 3.1967 1 1 2 28.97 26.37 3.0820 0 2 2 29.37 74.49 3.0411 1 2 0 30.70 27.77 2.9124 -1 2 1 30.71 20.52 2.9115 1 2 1 34.35 5.66 2.6109 -1 1 3 34.37 10.79 2.6090 1 1 3 34.42 5.75 2.6058 -1 2 2 34.43 17.03 2.6046 1 2 2 35.25 4.19 2.5458 0 2 3 35.55 7.77 2.5250 0 0 4 35.74 5.88 2.5122 0 3 1 36.87 8.57 2.4380 2 0 0 37.45 31.52 2.4017 0 1 4 39.04 27.31 2.3072 0 3 2 39.35 7.22 2.2899 1 3 0 39.75 7.25 2.2675 -2 1 1 39.94 20.46 2.2573 -1 2 3 39.96 5.19 2.2561 1 2 3 40.20 10.77 2.2430 -1 0 4 40.23 2.23 2.2414 1 0 4 40.39 4.68 2.2334 -1 3 1 41.13 4.32 2.1948 2 0 2 41.95 9.52 2.1538 1 1 4 42.69 1.14 2.1180 0 2 4 42.78 6.13 2.1137 -2 1 2 42.81 2.51 2.1124 2 1 2 43.40 3.57 2.0852 1 3 2 43.82 14.10 2.0659 2 2 0 44.07 2.69 2.0546 0 3 3 44.77 3.19 2.0243 -2 2 1 44.78 5.09 2.0237 2 2 1 46.75 5.01 1.9432 -1 2 4 47.49 6.00 1.9147 -2 1 3 47.53 5.96 1.9132 2 1 3 47.54 1.95 1.9126 -2 2 2 47.57 7.94 1.9116 2 2 2 47.61 3.12 1.9101 0 4 1 48.06 1.11 1.8931 1 3 3 50.26 2.68 1.8153 -1 1 5 50.26 10.48 1.8152 0 4 2 50.51 18.20 1.8068 1 4 0 50.94 7.19 1.7928 0 2 5 51.37 1.23 1.7786 -1 4 1 51.91 2.67 1.7614 -2 2 3 52.13 5.44 1.7546 -2 0 4 52.28 5.41 1.7497 -2 3 1 52.30 2.14 1.7494 2 3 1 53.54 11.53 1.7117 -2 1 4 53.59 23.98 1.7102 2 1 4 53.90 1.42 1.7010 1 4 2 54.05 13.56 1.6966 -1 3 4 54.08 14.10 1.6959 1 3 4 54.48 3.28 1.6843 0 4 3 54.77 15.30 1.6761 -2 3 2 54.79 14.20 1.6754 2 3 2 57.63 5.46 1.5995 -2 2 4 57.92 2.08 1.5922 -1 4 3 57.93 4.69 1.5918 1 4 3 57.94 8.19 1.5916 -1 0 6 57.98 7.37 1.5908 1 0 6 59.79 4.98 1.5468 3 0 2 59.87 10.43 1.5449 0 2 6 60.93 2.47 1.5206 2 4 0 61.05 8.08 1.5178 -3 1 2 61.08 3.64 1.5171 3 1 2 61.17 1.41 1.5151 -1 3 5 61.20 1.47 1.5145 1 3 5 61.68 2.23 1.5037 -2 4 1 61.87 3.56 1.4997 3 2 0 62.45 1.85 1.4872 0 5 2 62.61 3.21 1.4836 -3 2 1 62.63 1.72 1.4833 3 2 1 63.11 5.51 1.4731 -1 2 6 63.14 4.23 1.4724 1 2 6 63.28 1.16 1.4696 -1 4 4 63.30 1.23 1.4691 1 4 4 63.41 4.67 1.4669 -1 5 1 63.42 3.85 1.4668 1 5 1 63.93 1.23 1.4562 -2 4 2 63.95 3.09 1.4558 2 4 2 64.07 1.57 1.4533 -2 3 4 64.12 2.50 1.4524 2 3 4 64.55 1.16 1.4438 2 2 5 64.79 1.37 1.4389 -3 1 3 64.84 1.30 1.4380 3 1 3 64.87 2.29 1.4373 3 2 2 65.64 1.02 1.4224 1 5 2 67.59 2.79 1.3860 -2 4 3 67.60 1.12 1.3858 -2 0 6 67.66 1.43 1.3847 2 0 6 68.08 2.77 1.3773 3 3 0 68.51 2.30 1.3695 3 2 3 68.80 1.18 1.3645 3 3 1 68.92 1.10 1.3625 -1 1 7 69.24 1.22 1.3569 -1 5 3 69.26 1.23 1.3567 1 5 3 69.85 2.72 1.3466 -3 1 4 69.86 2.24 1.3465 1 4 5 69.91 4.27 1.3455 3 1 4 70.91 3.21 1.3290 -3 3 2 71.17 2.12 1.3248 0 5 4 72.39 4.25 1.3054 -2 2 6 72.45 2.40 1.3045 2 2 6 72.53 1.06 1.3033 1 2 7 72.69 1.95 1.3007 2 5 1 72.95 2.57 1.2968 0 6 0 73.41 2.88 1.2899 -3 2 4 73.65 2.33 1.2863 0 6 1 74.16 2.75 1.2786 -1 5 4 74.18 2.45 1.2783 1 5 4 74.45 1.12 1.2744 3 3 3 74.55 8.37 1.2729 0 4 6 74.77 2.37 1.2698 -2 5 2 74.79 2.25 1.2695 2 5 2 75.27 2.64 1.2625 0 0 8 76.35 5.16 1.2473 3 4 0 76.43 3.89 1.2462 0 1 8 77.42 2.24 1.2328 0 5 5 77.49 1.27 1.2318 -1 4 6 78.19 1.29 1.2224 -2 5 3 78.22 2.92 1.2221 2 5 3 78.34 1.50 1.2205 1 3 7 78.46 3.86 1.2190 4 0 0 78.67 1.22 1.2163 1 6 2 79.14 2.72 1.2102 0 6 3 79.20 2.09 1.2095 -3 3 4 79.26 4.35 1.2087 3 3 4 79.38 1.43 1.2071 1 1 8 79.60 1.44 1.2043 4 1 0 79.88 1.34 1.2009 0 2 8 81.31 2.20 1.1833 -2 2 7 81.38 1.47 1.1825 2 2 7 82.04 1.93 1.1746 -1 6 3 82.05 2.69 1.1744 1 6 3 82.29 1.64 1.1717 -4 1 2 82.45 1.37 1.1698 -3 4 3 82.45 2.47 1.1698 -3 0 6 82.54 2.41 1.1687 3 0 6 82.76 1.25 1.1662 -1 2 8 82.80 1.61 1.1658 1 2 8 83.67 1.66 1.1558 3 1 6 85.26 1.23 1.1383 -3 3 5 85.31 2.67 1.1377 -2 6 1 85.72 1.72 1.1333 4 2 2 86.16 3.85 1.1287 -2 4 6 86.22 1.66 1.1281 2 4 6 86.97 1.98 1.1202 -3 2 6 87.06 1.26 1.1193 3 2 6 87.13 2.28 1.1186 -3 4 4 87.28 2.83 1.1171 3 5 1 87.98 1.94 1.1100 -2 1 8 88.05 2.01 1.1093 2 1 8 88.40 2.21 1.1058 -1 3 8 88.44 1.89 1.1054 1 3 8 89.00 1.89 1.0999 2 5 5 89.34 1.31 1.0966 4 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.