Fluoro-potassic-pargasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110065 Oberti R, Boiocchi M, Hawthorne F C, Pagano R, Pagano A Mineralogical Magazine 74 (2010) 961-967 Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry Locality: Tranomaro area, Madagascar _database_code_amcsd 0018305 CELL PARAMETERS: 9.9070 17.9530 5.3210 90.000 105.545 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.50000 0.00000 0.233 2.850 Na 0.00000 0.50000 0.00000 0.095 2.850 Ca 0.00000 0.50000 0.00000 0.010 2.850 K 0.02690 0.50000 0.05420 0.206 2.650 Na 0.02690 0.50000 0.05420 0.083 2.650 Ca 0.02690 0.50000 0.05420 0.009 2.650 K 0.00000 0.53690 0.00000 0.023 1.750 Na 0.00000 0.53690 0.00000 0.010 1.750 Ca 0.00000 0.53690 0.00000 0.001 1.750 Ca 0.00000 0.28080 0.50000 1.000 0.710 Mg 0.00000 0.08990 0.50000 0.930 0.630 Fe 0.00000 0.08990 0.50000 0.070 0.630 Mg 0.00000 0.17610 0.00000 0.425 0.550 Al 0.00000 0.17610 0.00000 0.395 0.550 Fe 0.00000 0.17610 0.00000 0.020 0.550 Fe 0.00000 0.17610 0.00000 0.135 0.550 Ti 0.00000 0.17610 0.00000 0.025 0.550 Mg 0.00000 0.00000 0.00000 0.930 0.600 Fe 0.00000 0.00000 0.00000 0.060 0.600 Mn 0.00000 0.00000 0.00000 0.010 0.600 Si 0.27840 0.08630 0.30650 0.500 0.500 Al 0.27840 0.08630 0.30650 0.500 0.500 Si 0.29060 0.17420 0.81720 0.950 0.530 Al 0.29060 0.17420 0.81720 0.050 0.530 O 0.10390 0.08940 0.21590 1.000 0.780 O 0.11880 0.17400 0.73680 1.000 0.750 F 0.10550 0.00000 0.71370 0.630 0.860 O 0.10550 0.00000 0.71370 0.370 0.860 O 0.36790 0.25170 0.79330 1.000 0.910 O 0.35040 0.14030 0.11520 1.000 0.930 O 0.34380 0.11890 0.61200 1.000 0.970 O 0.33610 0.00000 0.29140 1.000 1.240 H 0.16600 0.00000 0.75100 0.370 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 4.906843869 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.85 25.43 8.9765 0 2 0 10.50 32.52 8.4276 1 1 0 17.49 5.12 5.0702 1 3 0 18.00 12.48 4.9280 -1 1 1 19.78 14.87 4.4882 0 4 0 22.33 11.47 3.9814 1 1 1 22.85 9.80 3.8925 -1 3 1 23.95 3.69 3.7149 -2 2 1 26.39 1.30 3.3769 0 4 1 26.43 75.77 3.3728 1 3 1 26.52 5.07 3.3607 1 5 0 27.28 57.75 3.2695 2 4 0 28.49 60.91 3.1327 3 1 0 28.77 1.17 3.1028 2 0 1 29.22 8.32 3.0559 -3 1 1 29.86 1.21 2.9922 0 6 0 30.40 12.57 2.9407 -1 5 1 30.48 68.69 2.9326 2 2 1 31.86 17.92 2.8092 3 3 0 32.52 44.35 2.7534 -3 3 1 33.23 100.00 2.6963 1 5 1 34.71 58.70 2.5842 0 6 1 35.01 8.46 2.5632 0 0 2 35.02 76.14 2.5624 -2 0 2 37.05 1.18 2.4263 -4 0 1 37.26 5.60 2.4130 -2 6 1 37.70 1.07 2.3862 4 0 0 37.78 14.68 2.3812 3 5 0 38.35 37.25 2.3470 -3 5 1 38.43 26.66 2.3423 -4 2 1 39.10 16.90 2.3040 -3 1 2 39.28 22.33 2.2935 -1 7 1 40.09 2.54 2.2494 3 3 1 40.53 2.23 2.2258 0 4 2 40.54 13.23 2.2253 -2 4 2 41.58 1.23 2.1718 1 7 1 41.70 6.27 2.1657 -3 3 2 41.95 39.15 2.1538 2 6 1 42.28 9.97 2.1376 -1 5 2 44.37 21.08 2.0415 2 0 2 44.40 17.71 2.0404 -4 0 2 44.62 1.89 2.0308 2 8 0 45.08 16.40 2.0110 3 5 1 45.42 6.67 1.9967 3 7 0 46.16 1.50 1.9664 -2 8 1 46.51 4.62 1.9526 1 9 0 46.56 6.03 1.9505 -3 5 2 47.92 12.10 1.8982 5 1 0 48.29 3.26 1.8846 -4 6 1 49.00 11.48 1.8589 -1 9 1 49.02 2.89 1.8583 2 4 2 49.04 5.12 1.8574 -4 4 2 49.36 6.09 1.8465 -1 7 2 50.16 4.41 1.8186 5 3 0 50.86 6.46 1.7953 0 10 0 50.95 1.29 1.7923 1 9 1 51.70 2.61 1.7682 3 1 2 51.73 3.89 1.7672 -5 1 2 53.82 1.40 1.7034 3 3 2 54.13 2.90 1.6944 0 10 1 54.14 7.29 1.6939 -1 3 3 54.28 1.37 1.6901 3 9 0 54.34 5.07 1.6882 -2 8 2 54.44 1.67 1.6855 5 5 0 54.62 1.44 1.6803 2 10 0 54.68 12.56 1.6786 0 2 3 54.71 3.03 1.6777 -3 9 1 55.86 31.44 1.6458 4 6 1 56.27 6.89 1.6347 4 8 0 57.27 11.67 1.6087 1 11 0 57.98 4.72 1.5908 6 0 0 58.21 24.57 1.5848 -1 5 3 59.14 2.29 1.5622 -5 7 1 59.59 8.94 1.5514 4 0 2 59.63 17.10 1.5506 -6 0 2 60.46 1.14 1.5313 5 7 0 60.57 1.06 1.5287 4 2 2 60.92 32.48 1.5208 -2 6 3 61.23 5.60 1.5138 1 9 2 61.25 1.50 1.5134 -3 9 2 61.42 5.60 1.5097 -4 8 2 61.88 6.30 1.4994 5 5 1 62.03 12.26 1.4961 0 12 0 63.24 6.02 1.4703 -2 10 2 63.34 1.39 1.4682 1 5 3 63.39 1.47 1.4672 2 2 3 63.44 3.76 1.4663 4 4 2 63.47 3.00 1.4656 -6 4 2 63.72 1.10 1.4606 3 7 2 64.01 1.87 1.4546 -1 7 3 64.13 5.10 1.4522 3 11 0 64.51 36.14 1.4446 -6 6 1 64.52 2.16 1.4443 -3 11 1 64.60 2.99 1.4426 -5 3 3 64.93 1.63 1.4362 0 12 1 65.01 3.57 1.4346 4 10 0 66.74 1.08 1.4016 -5 9 1 66.91 2.01 1.3984 6 2 1 68.29 6.23 1.3734 -5 5 3 68.96 12.75 1.3617 5 1 2 69.09 1.89 1.3596 7 1 0 69.76 1.11 1.3482 2 10 2 70.50 9.21 1.3357 1 11 2 70.52 4.93 1.3355 -3 11 2 70.64 1.76 1.3334 -1 13 1 70.74 6.77 1.3318 2 6 3 70.76 3.38 1.3314 5 3 2 71.07 1.95 1.3264 -5 9 2 71.32 1.74 1.3223 -1 9 3 71.68 10.95 1.3167 -7 5 1 71.84 6.87 1.3141 -1 1 4 71.85 2.94 1.3139 -3 1 4 72.21 1.83 1.3082 1 13 1 72.89 1.13 1.2978 6 8 0 72.90 1.59 1.2975 -3 9 3 73.26 4.86 1.2921 0 12 2 73.27 12.62 1.2920 -2 12 2 73.61 2.70 1.2868 -1 3 4 73.62 2.71 1.2866 -3 3 4 73.96 2.59 1.2816 0 0 4 73.99 5.22 1.2812 -4 0 4 74.09 2.46 1.2797 6 6 1 74.31 1.35 1.2765 5 5 2 74.35 1.12 1.2759 -7 5 2 74.36 1.05 1.2757 -6 8 2 77.00 1.06 1.2384 2 14 0 77.45 1.28 1.2323 0 4 4 77.69 1.30 1.2291 4 2 3 77.93 1.21 1.2260 -8 2 1 78.12 2.02 1.2234 -2 14 1 78.98 1.02 1.2122 7 3 1 79.81 9.57 1.2017 -5 11 2 80.51 2.83 1.1931 8 0 0 82.14 2.24 1.1735 -6 10 2 82.34 2.22 1.1711 -8 4 2 83.11 6.38 1.1622 2 0 4 84.48 1.18 1.1468 0 14 2 84.54 1.08 1.1461 4 6 3 84.62 2.16 1.1453 2 10 3 86.45 2.55 1.1257 7 9 0 86.55 3.44 1.1246 -6 4 4 86.58 1.22 1.1243 3 9 3 87.34 1.78 1.1164 -7 7 3 87.81 2.02 1.1117 5 3 3 89.05 1.03 1.0994 -1 9 4 89.39 1.69 1.0961 0 16 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.