Bavenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060790 Cannillo E, Coda A, Fagnani G Acta Crystallographica 20 (1966) 301-309 The crystal structure of bavenite CELL PARAMETERS: 23.1970 4.9680 19.4250 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: 10.02554682 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.62 11.66 11.5985 2 0 0 11.88 9.56 7.4465 2 0 2 17.81 7.12 4.9792 4 0 2 18.27 10.19 4.8562 0 0 4 20.44 6.82 4.3447 1 1 2 21.26 29.79 4.1797 3 1 0 23.00 2.16 3.8662 6 0 0 23.17 8.30 3.8393 3 1 2 23.90 44.47 3.7232 4 0 4 24.79 1.53 3.5920 6 0 2 26.28 21.49 3.3908 5 1 0 26.69 100.00 3.3403 5 1 1 27.55 13.69 3.2375 0 0 6 27.87 15.88 3.2013 5 1 2 28.63 17.06 3.1183 2 0 6 29.44 17.19 3.0341 1 1 5 29.53 5.55 3.0247 6 0 4 29.74 20.37 3.0038 5 1 3 31.44 10.43 2.8456 3 1 5 31.65 5.94 2.8268 4 0 6 32.20 1.62 2.7801 5 1 4 32.22 2.10 2.7784 8 0 2 32.81 4.36 2.7295 7 1 1 33.80 3.19 2.6521 7 1 2 35.06 9.12 2.5595 3 1 6 35.13 13.22 2.5546 5 1 5 35.39 5.51 2.5365 7 1 3 36.19 5.01 2.4822 6 0 6 36.47 1.48 2.4639 0 2 1 37.01 2.69 2.4289 2 2 0 37.02 1.74 2.4281 0 0 8 37.31 6.85 2.4102 2 2 1 37.32 10.45 2.4096 1 1 7 37.86 1.41 2.3766 2 0 8 38.82 4.34 2.3197 10 0 0 38.96 1.55 2.3119 3 1 7 39.38 1.59 2.2879 9 1 0 39.63 11.32 2.2742 2 2 3 39.67 4.31 2.2722 9 1 1 40.11 8.57 2.2483 7 1 5 40.51 1.70 2.2269 9 1 2 40.80 8.62 2.2115 0 2 4 41.57 1.30 2.1724 2 2 4 41.58 1.14 2.1719 1 1 8 42.08 1.48 2.1475 5 1 7 43.08 3.16 2.0995 3 1 8 43.10 1.47 2.0989 7 1 6 43.22 2.71 2.0932 10 0 4 43.29 1.24 2.0898 6 2 0 43.74 9.26 2.0697 9 1 4 43.81 4.07 2.0663 4 2 4 45.97 5.00 1.9742 5 1 8 46.01 4.96 1.9724 1 1 9 46.04 1.58 1.9714 9 1 5 46.43 1.01 1.9558 7 1 7 46.75 1.65 1.9429 2 2 6 46.77 4.37 1.9425 0 0 10 47.01 1.43 1.9331 12 0 0 47.05 3.55 1.9316 11 1 1 47.36 4.06 1.9196 6 2 4 47.46 1.10 1.9158 2 0 10 48.74 5.65 1.8684 9 1 6 48.81 2.30 1.8660 4 2 6 49.20 2.72 1.8518 8 2 2 50.10 6.59 1.8208 5 1 9 52.01 3.36 1.7584 8 2 4 52.09 8.02 1.7558 6 2 6 52.71 8.39 1.7365 11 1 5 52.74 6.91 1.7357 6 0 10 54.09 2.12 1.6954 10 2 0 54.73 2.53 1.6773 10 0 8 54.98 1.94 1.6701 10 2 2 55.22 2.12 1.6634 4 2 8 55.35 3.49 1.6597 12 0 6 55.46 4.15 1.6569 14 0 0 55.86 2.99 1.6459 1 3 1 56.07 1.51 1.6401 10 2 3 56.46 2.20 1.6299 8 2 6 56.48 1.18 1.6292 0 2 9 56.86 1.14 1.6193 3 3 0 56.88 2.58 1.6187 0 0 12 57.08 1.42 1.6137 3 3 1 57.58 1.88 1.6006 10 2 4 58.09 2.33 1.5879 7 1 10 58.88 1.54 1.5685 4 2 9 58.89 3.39 1.5682 14 0 4 58.97 2.41 1.5662 5 1 11 60.25 1.49 1.5361 3 3 4 60.50 3.31 1.5302 0 2 10 60.91 1.51 1.5209 12 2 1 61.53 2.97 1.5071 12 2 2 62.55 1.45 1.4849 5 3 4 62.72 1.67 1.4813 7 3 0 62.75 1.40 1.4808 9 1 10 62.81 2.30 1.4795 4 2 10 62.92 3.36 1.4770 7 3 1 63.97 2.15 1.4554 12 2 4 64.53 1.00 1.4440 7 3 3 65.80 3.19 1.4194 1 3 7 65.93 2.06 1.4169 7 3 4 66.45 1.09 1.4070 3 1 13 67.19 2.40 1.3932 9 3 0 68.01 1.57 1.3784 14 2 0 68.48 1.19 1.3702 12 0 10 69.82 1.25 1.3470 7 3 6 71.27 3.59 1.3232 16 0 6 71.38 2.03 1.3214 9 1 12 71.87 1.65 1.3137 7 1 13 71.92 1.07 1.3128 17 1 1 72.34 2.72 1.3063 11 1 11 72.36 2.07 1.3059 6 0 14 73.79 1.38 1.2841 5 1 14 74.75 1.20 1.2700 17 1 4 75.40 1.14 1.2606 14 0 10 76.04 2.63 1.2516 8 0 14 76.06 1.30 1.2513 1 1 15 76.80 1.04 1.2411 12 0 12 77.26 1.14 1.2349 2 4 0 78.68 1.86 1.2161 5 3 10 79.44 1.27 1.2063 1 3 11 79.96 1.26 1.1998 12 2 10 81.30 2.41 1.1834 19 1 1 83.43 1.52 1.1586 13 3 5 83.58 1.20 1.1569 17 1 8 85.37 1.06 1.1371 4 4 6 85.57 1.30 1.1349 7 3 11 87.77 1.18 1.1121 13 3 7 89.95 1.41 1.0908 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.