Fluorapophyllite-(K) Prince E American Mineralogist 56 (1971) 1243-1251 Refinement of the crystal structure of apophyllite III. Determination of the hydrogen positions by neutron diffraction Locality: Centerville, Virginia, USA _database_code_amcsd 0000257 CELL PARAMETERS: 8.9600 8.9600 15.8000 90.000 90.000 90.000 SPACE GROUP: P4/mnc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1268.449 Density (g/cm3): 2.375 MAX. ABS. INTENSITY / VOLUME**2: 7.845625476 RIR: 1.076 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.20 1.10 7.9000 0 0 2 2 11.35 100.00 7.7940 1 0 1 8 13.98 10.86 6.3357 1 1 0 4 19.55 31.77 4.5404 1 0 3 8 19.82 28.65 4.4800 2 0 0 4 22.18 4.93 4.0070 2 1 0 8 22.51 19.44 3.9500 0 0 4 2 22.82 2.64 3.8970 2 0 2 8 22.90 35.31 3.8841 2 1 1 16 24.92 66.45 3.5736 2 1 2 16 26.59 10.37 3.3519 1 1 4 8 28.17 36.66 3.1678 2 2 0 4 29.98 45.46 2.9801 1 0 5 8 30.40 6.52 2.9403 2 2 2 8 30.46 25.91 2.9347 3 0 1 8 31.58 1.94 2.8334 3 1 0 8 31.81 6.32 2.8130 2 1 4 16 32.09 5.46 2.7889 3 1 1 16 33.60 17.24 2.6670 3 1 2 16 35.99 70.18 2.4952 3 1 3 16 36.20 41.38 2.4813 2 1 5 16 36.35 3.41 2.4713 2 2 4 8 36.61 1.16 2.4549 3 2 1 16 36.97 7.93 2.4317 1 1 6 8 37.96 3.47 2.3705 3 2 2 16 40.12 1.74 2.2474 3 2 3 16 41.01 5.87 2.2007 2 1 6 16 41.25 2.14 2.1888 1 0 7 8 41.61 2.56 2.1706 3 0 5 8 41.92 7.42 2.1550 4 0 2 8 41.97 4.62 2.1529 4 1 1 16 42.87 17.97 2.1096 3 1 5 16 43.00 18.57 2.1034 3 2 4 16 43.18 1.18 2.0953 4 1 2 16 44.40 3.29 2.0402 3 3 2 8 44.75 1.99 2.0250 2 2 6 8 45.26 33.59 2.0035 4 2 0 8 45.64 1.54 1.9876 4 2 1 16 46.78 2.07 1.9420 4 2 2 16 47.77 2.52 1.9040 4 1 4 16 51.00 2.48 1.7906 4 1 5 16 51.12 4.81 1.7868 4 2 4 16 51.31 2.43 1.7806 5 0 1 8 51.31 2.79 1.7806 4 3 1 16 51.59 4.12 1.7715 2 1 8 16 51.78 15.85 1.7654 3 1 7 16 52.04 1.15 1.7572 5 1 0 8 52.35 2.53 1.7476 4 3 2 16 52.39 2.00 1.7464 5 1 1 16 53.16 1.15 1.7228 1 0 9 8 53.72 1.05 1.7062 4 0 6 8 54.06 1.73 1.6965 4 3 3 16 54.21 1.26 1.6921 4 2 5 16 54.77 2.74 1.6761 4 1 6 16 54.77 2.89 1.6760 2 2 8 8 55.10 2.39 1.6669 5 1 3 16 55.54 9.74 1.6547 5 2 1 16 56.52 2.41 1.6281 5 2 2 16 56.82 3.21 1.6202 3 1 8 16 57.30 1.52 1.6080 2 1 9 16 57.39 3.73 1.6055 5 1 4 16 57.83 3.65 1.5945 4 2 6 16 58.14 2.64 1.5865 5 2 3 16 58.25 2.79 1.5839 4 4 0 4 58.41 8.50 1.5800 0 0 10 2 59.81 10.59 1.5462 3 2 8 16 60.37 2.37 1.5334 5 2 4 16 60.54 1.65 1.5294 5 3 1 16 61.24 1.12 1.5135 3 0 9 8 62.16 5.90 1.4933 6 0 0 4 62.21 4.87 1.4923 3 1 9 16 63.02 5.28 1.4751 5 3 3 16 63.15 4.40 1.4722 5 2 5 16 63.42 2.46 1.4667 6 1 1 16 63.66 2.11 1.4617 5 1 6 16 63.67 3.99 1.4616 4 1 8 16 64.33 1.64 1.4481 6 1 2 16 65.94 3.76 1.4167 6 2 0 8 66.08 1.80 1.4139 2 2 10 8 67.16 3.41 1.3939 5 4 1 16 67.56 1.24 1.3866 5 1 7 16 67.91 1.10 1.3802 6 1 4 16 69.22 1.61 1.3573 4 4 6 8 69.52 1.92 1.3521 2 1 11 16 70.29 1.32 1.3393 5 2 7 16 70.54 1.66 1.3351 6 1 5 16 71.02 1.23 1.3272 5 3 6 16 71.45 1.51 1.3204 4 2 9 16 71.68 1.15 1.3167 0 0 12 2 73.32 1.04 1.2911 4 0 10 8 73.69 1.43 1.2856 6 1 6 16 73.99 3.33 1.2811 3 1 11 16 74.10 5.06 1.2795 5 4 5 16 74.58 3.17 1.2725 5 2 8 16 74.73 2.50 1.2702 5 3 7 16 76.07 2.40 1.2511 5 5 2 8 76.07 3.52 1.2511 7 1 2 16 76.60 1.74 1.2438 7 0 3 8 76.84 6.26 1.2406 4 2 10 16 77.82 1.78 1.2274 6 4 2 16 78.68 1.45 1.2161 7 2 2 16 80.09 1.28 1.1983 4 1 11 16 80.43 1.20 1.1940 3 1 12 16 80.66 1.58 1.1912 6 3 6 16 81.06 2.27 1.1864 7 0 5 8 84.35 5.27 1.1482 7 3 3 16 87.13 2.40 1.1186 4 4 10 8 87.29 4.15 1.1170 3 1 13 16 88.09 1.06 1.1089 8 0 2 8 88.82 1.43 1.1017 6 5 4 16 88.95 1.17 1.1003 4 2 12 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.