Brenkite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060247 Leufer U, Tillmanns E Tschermaks Mineralogische und Petrographische Mitteilungen 27 (1980) 261-266 Die kristallstruktur von brenkit, Ca2F2CO3 CELL PARAMETERS: 7.6380 7.5410 6.5500 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Ca 0.32447 0.16198 0.46489 1.000 0.689 C 0.00000 0.02830 0.25000 1.000 0.739 O 0.00000 0.20020 0.25000 1.000 1.274 O 0.36750 0.44510 0.32050 1.000 1.269 F 0.37980 0.12050 0.10100 1.000 1.015 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.221003141 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 21.41 5.90 4.1510 1 1 1 23.29 9.76 3.8190 2 0 0 23.60 2.75 3.7705 0 2 0 27.23 19.93 3.2750 0 0 2 27.29 32.93 3.2678 0 2 1 29.55 67.44 3.0226 2 1 1 29.68 13.91 3.0100 1 0 2 29.74 58.58 3.0043 1 2 1 32.02 100.00 2.7955 1 1 2 33.40 4.41 2.6831 2 2 0 36.13 58.45 2.4861 2 0 2 36.18 1.01 2.4829 2 2 1 36.33 25.33 2.4725 0 2 2 37.28 30.78 2.4122 3 1 0 37.67 42.59 2.3877 1 3 0 38.11 24.88 2.3611 2 1 2 39.82 44.89 2.2636 3 1 1 40.20 20.14 2.2433 1 3 1 43.61 8.38 2.0755 2 2 2 44.82 33.12 2.0224 1 1 3 45.11 2.24 2.0101 3 0 2 45.14 19.34 2.0084 3 2 1 46.77 21.37 1.9422 3 1 2 47.10 14.02 1.9294 1 3 2 47.62 11.00 1.9095 4 0 0 48.16 25.94 1.8894 0 2 3 48.27 11.52 1.8852 0 4 0 49.59 16.90 1.8383 2 1 3 49.71 47.67 1.8341 1 2 3 50.37 8.60 1.8117 0 4 1 51.06 50.06 1.7888 3 3 0 51.29 37.70 1.7813 4 1 1 51.72 2.43 1.7676 2 3 2 51.87 36.17 1.7628 1 4 1 53.07 4.54 1.7256 3 3 1 54.16 8.76 1.6935 2 2 3 54.26 4.65 1.6905 2 4 0 55.72 4.23 1.6496 4 0 2 56.17 2.42 1.6375 0 0 4 56.31 13.59 1.6339 0 4 2 56.88 9.13 1.6187 3 1 3 57.16 1.54 1.6115 4 1 2 57.57 1.54 1.6011 1 0 4 58.82 22.08 1.5699 3 3 2 61.34 2.50 1.5113 4 2 2 61.75 1.00 1.5022 2 4 2 61.76 2.04 1.5020 0 2 4 62.98 5.20 1.4759 2 1 4 63.08 6.22 1.4737 1 2 4 63.77 1.11 1.4595 5 1 1 65.40 1.01 1.4269 0 4 3 66.19 8.06 1.4119 4 1 3 66.68 2.42 1.4026 1 4 3 67.71 2.44 1.3839 5 2 1 67.97 4.09 1.3791 4 3 2 68.08 2.19 1.3772 3 0 4 68.20 2.39 1.3751 3 4 2 68.39 3.32 1.3717 2 5 1 68.97 1.98 1.3616 5 1 2 69.36 2.50 1.3548 3 1 4 69.74 1.36 1.3484 1 5 2 70.06 8.32 1.3431 4 2 3 70.15 3.39 1.3416 4 4 0 70.44 2.26 1.3367 2 4 3 72.39 1.32 1.3054 5 3 0 72.90 1.30 1.2976 3 5 0 73.32 1.70 1.2912 2 3 4 73.43 2.97 1.2895 2 5 2 74.54 5.09 1.2730 6 0 0 75.67 2.58 1.2568 0 6 0 76.66 1.08 1.2430 4 0 4 77.07 6.46 1.2374 0 2 5 77.27 1.51 1.2348 5 1 3 77.41 2.33 1.2328 6 1 1 77.89 2.51 1.2265 4 1 4 78.01 1.71 1.2249 1 5 3 78.17 4.85 1.2227 2 1 5 78.27 3.05 1.2215 1 2 5 78.35 1.15 1.2204 1 4 4 78.95 5.16 1.2127 5 3 2 79.33 2.92 1.2078 3 3 4 80.44 1.30 1.1938 2 6 0 80.93 5.37 1.1879 5 2 3 81.04 1.62 1.1865 6 0 2 81.57 8.98 1.1802 2 5 3 81.82 1.42 1.1772 2 2 5 81.91 1.37 1.1762 2 4 4 82.14 3.87 1.1734 0 6 2 82.25 2.65 1.1721 6 1 2 82.62 4.43 1.1679 5 4 1 82.89 7.54 1.1647 4 5 1 83.32 1.15 1.1598 1 6 2 84.08 6.91 1.1512 3 1 5 85.87 1.50 1.1318 6 2 2 86.84 3.45 1.1216 2 6 2 87.44 5.81 1.1155 3 5 3 87.56 4.55 1.1142 4 3 4 87.84 1.94 1.1114 2 3 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.