Bavenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060065 Cannillo E, Coda A, Fagnani G Acta Crystallographica 20 (1966) 301-309 The crystal structure of bavenite CELL PARAMETERS: 23.2300 5.0170 19.5000 90.000 90.000 90.000 SPACE GROUP: Cmcm ATOM X Y Z OCCUPANCY ISO(B) Ca 0.08420 0.24250 0.15240 1.000 1.290 Be 0.12520 0.82180 0.25000 1.000 1.370 Al 0.09580 0.50000 0.00000 1.000 0.970 Si 0.00000 0.78020 0.25000 1.000 0.770 Si 0.00000 0.72270 0.10470 1.000 0.920 Si 0.17040 0.00000 0.00000 1.000 0.940 Si 0.21410 0.85390 0.14280 1.000 0.810 O 0.00000 0.57690 0.18300 1.000 0.880 O 0.00000 0.03020 0.11390 1.000 1.360 O 0.05720 0.59760 0.07180 1.000 1.470 O 0.13140 0.22980 0.03610 1.000 1.290 O 0.20810 0.86360 0.05980 1.000 1.210 O 0.23370 0.55750 0.16460 1.000 1.180 O 0.15470 0.92450 0.17990 1.000 1.140 O 0.12110 0.48680 0.25000 1.000 1.220 O 0.05860 0.95040 0.25000 1.000 0.910 H 0.10000 0.26700 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 4 +/- 17 MAX. ABS. INTENSITY / VOLUME**2: 9.877119388 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.61 11.52 11.6150 2 0 0 11.85 9.48 7.4677 2 0 2 17.78 7.05 4.9895 4 0 2 18.20 10.13 4.8750 0 0 4 20.27 6.87 4.3810 1 1 2 21.10 29.93 4.2105 3 1 0 22.97 2.13 3.8717 6 0 0 23.01 8.33 3.8654 3 1 2 23.83 44.16 3.7339 4 0 4 24.74 1.52 3.5983 6 0 2 26.14 21.50 3.4088 5 1 0 26.54 100.00 3.3579 5 1 1 27.44 13.63 3.2500 0 0 6 27.72 15.88 3.2178 5 1 2 28.52 16.99 3.1298 2 0 6 29.26 17.23 3.0524 1 1 5 29.46 5.51 3.0318 6 0 4 29.59 20.38 3.0189 5 1 3 31.26 10.45 2.8612 3 1 5 31.55 5.91 2.8361 4 0 6 32.04 1.62 2.7936 5 1 4 32.16 2.08 2.7830 8 0 2 32.68 4.34 2.7404 7 1 1 33.66 3.18 2.6626 7 1 2 34.87 9.14 2.5727 3 1 6 34.96 13.20 2.5666 5 1 5 35.24 5.50 2.5466 7 1 3 36.08 4.98 2.4892 6 0 6 36.10 1.51 2.4880 0 2 1 36.65 2.73 2.4520 2 2 0 36.88 1.73 2.4375 0 0 8 36.95 6.96 2.4328 2 2 1 37.12 10.47 2.4222 1 1 7 37.71 1.41 2.3855 2 0 8 38.76 1.55 2.3233 3 1 7 38.76 4.29 2.3230 10 0 0 39.25 1.58 2.2952 9 1 0 39.27 11.51 2.2942 2 2 3 39.54 4.29 2.2794 9 1 1 39.94 8.57 2.2572 7 1 5 40.37 1.70 2.2341 9 1 2 40.44 8.72 2.2305 0 2 4 41.21 1.32 2.1905 2 2 4 41.37 1.15 2.1827 1 1 8 41.88 1.49 2.1571 5 1 7 42.87 3.19 2.1095 3 1 8 42.92 1.48 2.1072 7 1 6 42.96 1.26 2.1052 6 2 0 43.14 2.69 2.0971 10 0 4 43.46 4.12 2.0822 4 2 4 43.59 9.23 2.0765 9 1 4 45.76 5.00 1.9828 5 1 8 45.78 4.98 1.9818 1 1 9 45.88 1.58 1.9781 9 1 5 46.24 1.01 1.9634 7 1 7 46.39 1.68 1.9574 2 2 6 46.57 4.37 1.9500 0 0 10 46.91 3.54 1.9368 11 1 1 46.94 1.42 1.9358 12 0 0 47.02 4.11 1.9327 6 2 4 47.27 1.10 1.9231 2 0 10 48.45 2.33 1.8790 4 2 6 48.56 5.65 1.8748 9 1 6 48.88 2.75 1.8633 8 2 2 49.87 6.59 1.8286 5 1 9 51.68 3.40 1.7689 8 2 4 51.74 8.09 1.7669 6 2 6 52.55 6.91 1.7416 6 0 10 52.55 8.36 1.7416 11 1 5 53.78 2.13 1.7044 10 2 0 54.57 2.52 1.6816 10 0 8 54.67 1.95 1.6790 10 2 2 54.84 2.14 1.6739 4 2 8 55.23 3.47 1.6632 12 0 6 55.27 3.09 1.6619 1 3 1 55.37 4.12 1.6593 14 0 0 55.76 1.53 1.6487 10 2 3 56.09 1.19 1.6397 0 2 9 56.11 2.22 1.6391 8 2 6 56.28 1.17 1.6346 3 3 0 56.49 1.45 1.6289 3 3 1 56.64 2.59 1.6250 0 0 12 57.26 1.89 1.6089 10 2 4 57.84 2.33 1.5941 7 1 10 58.49 1.55 1.5780 4 2 9 58.70 2.42 1.5728 5 1 11 58.78 3.36 1.5708 14 0 4 59.66 1.52 1.5498 3 3 4 60.10 3.34 1.5396 0 2 10 60.61 1.52 1.5278 12 2 1 61.22 2.98 1.5140 12 2 2 61.97 1.48 1.4974 5 3 4 62.16 1.70 1.4934 7 3 0 62.36 3.42 1.4891 7 3 1 62.40 2.32 1.4881 4 2 10 62.50 1.39 1.4861 9 1 10 63.65 2.15 1.4620 12 2 4 63.96 1.02 1.4555 7 3 3 65.19 3.26 1.4311 1 3 7 65.35 2.10 1.4279 7 3 4 66.13 1.09 1.4130 3 1 13 66.64 2.44 1.4035 9 3 0 67.70 1.57 1.3839 14 2 0 68.27 1.19 1.3738 12 0 10 69.24 1.27 1.3570 7 3 6 71.08 2.03 1.3262 9 1 12 71.12 3.56 1.3256 16 0 6 71.54 1.65 1.3188 7 1 13 71.76 1.06 1.3154 17 1 1 72.06 2.07 1.3106 6 0 14 72.06 2.71 1.3106 11 1 11 73.44 1.38 1.2894 5 1 14 74.56 1.19 1.2727 17 1 4 75.19 1.14 1.2637 14 0 10 75.69 1.30 1.2566 1 1 15 75.74 2.62 1.2559 8 0 14 76.37 1.17 1.2470 2 4 0 76.54 1.03 1.2446 12 0 12 78.03 1.88 1.2246 5 3 10 78.78 1.29 1.2148 1 3 11 79.55 1.27 1.2050 12 2 10 81.11 2.39 1.1857 19 1 1 82.84 1.54 1.1652 13 3 5 83.33 1.19 1.1597 17 1 8 84.45 1.08 1.1471 4 4 6 84.90 1.32 1.1421 7 3 11 87.16 1.19 1.1183 13 3 7 89.38 1.41 1.0962 0 2 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.