Fluorapophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050084 Colville A A, Anderson C P, Black P M American Mineralogist 56 (1971) 1222-1233 Refinement of the crystal structure of apophyllite I. X-ray diffraction and physical properties CELL PARAMETERS: 8.9724 8.9724 15.7979 90.000 90.000 90.000 SPACE GROUP: P4/mnc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.50000 0.840 2.995 Na 0.00000 0.00000 0.50000 0.160 2.995 Ca 0.11020 0.24600 0.00000 1.000 0.621 Si 0.22580 0.08640 0.19000 1.000 0.634 O 0.36350 0.13650 0.25000 1.000 0.735 O 0.08430 0.18990 0.21770 1.000 1.164 O 0.26420 0.10200 0.09230 1.000 0.991 F 0.00000 0.00000 0.00000 1.000 1.330 Wa 0.21280 0.44980 0.09000 1.000 1.759 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 7.565372737 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.34 100.00 7.8019 1 0 1 13.96 10.10 6.3444 1 1 0 19.55 31.66 4.5416 1 0 3 19.79 31.32 4.4862 2 0 0 22.15 2.28 4.0126 2 1 0 22.51 18.48 3.9495 0 0 4 22.80 1.95 3.9009 2 0 2 22.87 28.53 3.8891 2 1 1 24.89 77.68 3.5775 2 1 2 26.59 10.93 3.3529 1 1 4 28.13 45.68 3.1722 2 2 0 29.98 53.83 2.9802 1 0 5 30.36 4.32 2.9437 2 2 2 30.42 32.23 2.9386 3 0 1 31.53 1.82 2.8373 3 1 0 31.79 4.31 2.8147 2 1 4 32.05 9.47 2.7926 3 1 1 33.56 17.28 2.6703 3 1 2 35.95 72.07 2.4978 3 1 3 36.19 49.71 2.4824 2 1 5 36.32 4.22 2.4732 2 2 4 36.55 1.23 2.4582 3 2 1 36.96 8.82 2.4319 1 1 6 37.91 3.66 2.3735 3 2 2 40.08 1.98 2.2499 3 2 3 40.20 1.18 2.2431 4 0 0 41.00 3.33 2.2014 2 1 6 41.25 1.40 2.1887 1 0 7 41.58 1.19 2.1720 3 0 5 41.87 8.11 2.1578 4 0 2 41.91 4.13 2.1558 4 1 1 42.84 24.93 2.1111 3 1 5 42.96 20.26 2.1054 3 2 4 43.12 1.99 2.0980 4 1 2 44.34 3.74 2.0429 3 3 2 44.73 3.64 2.0260 2 2 6 45.19 34.18 2.0063 4 2 0 45.58 3.27 1.9903 4 2 1 46.56 1.20 1.9505 4 0 4 46.71 2.16 1.9445 4 2 2 47.09 1.29 1.9300 3 1 6 47.72 2.18 1.9060 4 1 4 50.67 1.43 1.8015 3 0 7 50.96 3.47 1.7922 4 1 5 51.06 4.73 1.7887 4 2 4 51.24 1.58 1.7830 5 0 1 51.24 3.14 1.7830 4 3 1 51.58 3.97 1.7718 2 1 8 51.76 20.45 1.7662 3 1 7 52.28 3.54 1.7499 4 3 2 52.31 3.24 1.7488 5 1 1 53.17 1.19 1.7227 1 0 9 53.34 1.10 1.7175 5 1 2 53.98 1.48 1.6986 4 3 3 54.15 2.54 1.6937 4 2 5 54.72 3.69 1.6774 4 1 6 54.76 2.81 1.6764 2 2 8 55.02 2.18 1.6689 5 1 3 55.45 12.30 1.6569 5 2 1 56.44 2.81 1.6303 5 2 2 56.80 2.85 1.6208 3 1 8 57.29 1.12 1.6082 2 1 9 57.32 4.49 1.6073 5 1 4 57.77 3.14 1.5958 4 2 6 58.07 2.50 1.5885 5 2 3 58.16 2.78 1.5861 4 4 0 58.42 9.91 1.5798 0 0 10 59.78 11.33 1.5469 3 2 8 60.29 2.09 1.5351 5 2 4 60.45 2.13 1.5315 5 3 1 61.23 1.43 1.5139 3 0 9 61.88 1.16 1.4995 4 2 7 62.07 6.47 1.4954 6 0 0 62.19 4.25 1.4928 3 1 9 62.93 5.48 1.4770 5 3 3 63.08 3.93 1.4738 5 2 5 63.32 2.49 1.4687 6 1 1 63.60 2.83 1.4630 5 1 6 63.63 4.34 1.4624 4 1 8 64.24 1.37 1.4500 6 1 2 65.05 1.02 1.4338 5 3 4 65.83 3.86 1.4187 6 2 0 66.07 2.74 1.4141 2 2 10 66.76 1.17 1.4013 5 4 0 67.05 3.40 1.3958 5 4 1 67.82 1.76 1.3818 6 1 4 69.14 1.86 1.3586 4 4 6 69.52 1.18 1.3522 2 1 11 70.22 1.46 1.3404 5 2 7 70.45 1.57 1.3366 6 1 5 70.94 1.42 1.3285 5 3 6 71.40 1.86 1.3211 4 2 9 71.69 1.43 1.3165 0 0 12 73.09 1.22 1.2946 3 0 11 73.29 1.25 1.2916 4 0 10 73.61 2.41 1.2869 6 1 6 73.97 4.07 1.2814 3 1 11 74.00 5.40 1.2809 5 4 5 74.51 3.10 1.2734 5 2 8 74.66 3.14 1.2714 5 3 7 75.95 2.21 1.2528 5 5 2 75.95 3.66 1.2528 7 1 2 76.49 1.76 1.2454 7 0 3 76.79 6.40 1.2412 4 2 10 77.69 1.61 1.2291 6 4 2 78.56 1.28 1.2177 7 2 2 79.28 1.05 1.2084 5 2 9 80.05 1.16 1.1987 4 1 11 80.41 1.20 1.1942 3 1 12 80.55 1.46 1.1925 6 3 6 80.94 2.19 1.1878 7 0 5 81.44 1.01 1.1818 6 1 8 83.50 1.41 1.1577 6 4 5 84.22 5.24 1.1497 7 3 3 87.06 2.53 1.1193 4 4 10 87.28 4.20 1.1171 3 1 13 87.36 1.25 1.1162 7 2 6 88.67 1.77 1.1031 6 5 4 88.92 1.16 1.1007 4 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.