Fluoro-ferroleakeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070468 Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K American Mineralogist 78 (1993) 733-745 Li: an important component in igneous alkali amphiboles Locality: Questa caldera, New Mexico Sample: A(3), ferro-fluor-leakeite CELL PARAMETERS: 9.7970 17.9400 5.3129 90.000 103.840 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) O 0.11070 0.09060 0.20880 1.000 0.650 O 0.11980 0.17150 0.73680 1.000 0.640 OH 0.11300 0.00000 0.70710 0.150 1.120 F 0.11300 0.00000 0.70710 0.850 1.120 O 0.36520 0.24970 0.80130 1.000 0.810 O 0.35070 0.12840 0.08360 1.000 0.820 O 0.34170 0.12010 0.58050 1.000 0.810 O 0.33560 0.00000 0.29920 1.000 0.870 Si 0.27970 0.08580 0.29180 0.959 0.460 Al 0.27970 0.08580 0.29180 0.041 0.460 Si 0.29030 0.17070 0.80240 0.959 0.450 Al 0.29030 0.17070 0.80240 0.041 0.450 Mg 0.00000 0.08880 0.50000 0.250 0.630 Fe 0.00000 0.08880 0.50000 0.560 0.630 Mn 0.00000 0.08880 0.50000 0.190 0.630 Fe 0.00000 0.18110 0.00000 0.020 0.530 Fe 0.00000 0.18110 0.00000 0.910 0.530 Ti 0.00000 0.18110 0.00000 0.040 0.530 Zn 0.00000 0.18110 0.00000 0.030 0.530 Li 0.00000 0.00000 0.00000 0.640 0.670 Mg 0.00000 0.00000 0.00000 0.040 0.670 Mn 0.00000 0.00000 0.00000 0.320 0.670 Na 0.00000 0.27760 0.50000 1.000 1.110 K 0.00000 0.50000 0.00000 0.064 4.860 Na 0.00000 0.50000 0.00000 0.180 4.860 K 0.04560 0.50000 0.09730 0.083 3.520 Na 0.04560 0.50000 0.09730 0.230 3.520 K 0.00000 0.46930 0.00000 0.004 3.690 Na 0.00000 0.46930 0.00000 0.011 3.690 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: 5.599368323 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.86 6.41 8.9700 0 2 0 10.53 72.15 8.4042 1 1 0 17.19 12.98 5.1587 0 0 1 17.52 8.42 5.0627 1 3 0 18.66 8.72 4.7563 2 0 0 19.80 46.17 4.4850 0 4 0 19.85 4.64 4.4719 0 2 1 21.14 4.74 4.2021 2 2 0 22.04 39.69 4.0329 1 1 1 22.19 8.21 4.0070 -2 0 1 22.99 43.72 3.8679 -1 3 1 24.33 1.79 3.6585 -2 2 1 26.19 37.29 3.4032 1 3 1 26.33 5.84 3.3847 0 4 1 26.55 8.53 3.3571 1 5 0 27.33 28.99 3.2631 2 4 0 28.40 7.15 3.1422 2 0 1 28.59 73.78 3.1225 3 1 0 29.75 22.03 3.0029 -3 1 1 29.88 2.62 2.9900 0 6 0 29.90 2.38 2.9881 -2 4 1 30.14 37.65 2.9655 2 2 1 30.52 15.63 2.9291 -1 5 1 31.95 10.57 2.8014 3 3 0 33.00 14.01 2.7141 -3 3 1 33.04 100.00 2.7111 1 5 1 34.68 29.23 2.5869 0 6 1 34.78 10.41 2.5793 0 0 2 34.86 2.91 2.5735 2 4 1 35.40 62.96 2.5358 -2 0 2 35.46 3.66 2.5314 2 6 0 36.30 4.03 2.4746 1 7 0 37.05 1.43 2.4266 -1 3 2 37.53 1.72 2.3964 -2 6 1 37.67 5.02 2.3878 -4 0 1 37.87 22.86 2.3760 3 5 0 38.78 23.06 2.3220 -3 5 1 39.04 16.00 2.3074 -4 2 1 39.19 1.50 2.2987 4 2 0 39.39 12.63 2.2874 -1 7 1 39.74 23.29 2.2682 -3 1 2 40.21 2.43 2.2425 0 8 0 40.88 4.63 2.2074 -2 4 2 41.25 1.99 2.1883 1 3 2 41.44 11.10 2.1789 1 7 1 41.70 29.73 2.1661 2 6 1 42.32 3.66 2.1357 -3 3 2 42.35 11.04 2.1342 -1 5 2 42.91 1.93 2.1077 -4 4 1 43.74 13.35 2.0694 2 0 2 44.68 1.23 2.0284 2 8 0 44.76 11.25 2.0246 3 5 1 45.26 6.71 2.0035 -4 0 2 45.67 2.69 1.9866 4 0 1 46.30 2.95 1.9610 -3 7 1 46.40 1.73 1.9569 -2 8 1 46.50 2.42 1.9530 0 6 2 46.55 1.07 1.9510 1 9 0 46.84 3.01 1.9396 4 2 1 46.98 2.24 1.9339 -2 6 2 47.13 11.74 1.9283 -3 5 2 48.09 7.43 1.8919 5 1 0 48.44 6.90 1.8790 2 4 2 48.81 2.17 1.8658 -4 6 1 48.94 2.56 1.8612 4 6 0 49.11 10.76 1.8552 -1 9 1 49.85 2.90 1.8293 -4 4 2 50.23 1.28 1.8164 4 4 1 50.33 5.58 1.8130 5 3 0 50.84 3.67 1.7959 1 9 1 50.90 5.44 1.7940 0 10 0 51.98 2.97 1.7592 -1 1 3 52.76 6.50 1.7350 -5 1 2 52.84 2.24 1.7326 1 7 2 53.11 1.06 1.7246 3 3 2 53.27 2.44 1.7196 0 0 3 53.88 1.53 1.7016 2 6 2 54.10 3.06 1.6952 -1 3 3 54.13 2.65 1.6945 0 10 1 54.20 2.41 1.6923 0 8 2 54.32 5.83 1.6888 0 2 3 54.60 1.71 1.6808 5 5 0 54.63 4.04 1.6799 -2 8 2 54.68 1.39 1.6786 2 10 0 55.06 1.62 1.6679 -3 9 1 55.54 27.14 1.6547 4 6 1 56.39 6.74 1.6315 4 8 0 56.58 1.21 1.6268 -3 3 3 57.23 1.57 1.6097 3 5 2 57.32 9.07 1.6075 1 11 0 58.18 22.58 1.5857 -1 5 3 58.19 3.32 1.5854 6 0 0 58.77 3.84 1.5711 4 0 2 60.82 9.59 1.5229 -6 0 2 60.93 2.65 1.5205 1 9 2 61.07 2.09 1.5174 1 11 1 61.18 19.25 1.5149 -2 6 3 61.53 4.35 1.5071 5 5 1 61.58 1.02 1.5060 2 0 3 62.08 11.79 1.4950 0 12 0 62.13 3.26 1.4941 -4 8 2 62.29 1.34 1.4906 0 6 3 62.54 2.48 1.4852 2 2 3 62.65 2.73 1.4828 4 4 2 63.52 3.19 1.4645 -2 10 2 63.91 1.37 1.4566 -5 1 3 63.98 5.19 1.4552 -1 7 3 64.22 3.05 1.4503 3 11 0 64.63 5.70 1.4421 -6 4 2 64.85 3.72 1.4378 -3 11 1 65.13 1.71 1.4322 4 10 0 65.23 28.83 1.4304 -6 6 1 65.78 1.11 1.4196 -5 3 3 67.17 1.12 1.3937 5 7 1 68.08 14.41 1.3773 5 1 2 69.32 1.21 1.3555 2 10 2 69.35 3.50 1.3551 7 1 0 69.44 3.81 1.3534 -5 5 3 69.89 2.32 1.3459 5 3 2 69.94 4.41 1.3450 2 6 3 70.24 6.13 1.3401 1 11 2 70.76 1.65 1.3314 4 10 1 70.99 2.30 1.3278 -3 11 2 71.00 1.76 1.3275 -2 0 4 71.31 1.53 1.3226 -1 9 3 71.65 7.23 1.3172 -1 1 4 71.96 1.04 1.3122 -5 9 2 72.14 1.49 1.3094 -7 3 2 72.51 7.84 1.3035 -7 5 1 73.10 1.44 1.2946 6 8 0 73.17 6.37 1.2934 0 12 2 73.42 3.40 1.2897 0 0 4 73.42 1.83 1.2896 -1 3 4 73.45 1.28 1.2893 -3 9 3 73.46 2.07 1.2891 5 5 2 73.54 17.57 1.2878 -2 12 2 73.74 3.86 1.2848 6 6 1 74.16 1.12 1.2786 -3 3 4 74.89 5.13 1.2679 -4 0 4 75.05 1.34 1.2657 4 12 0 76.92 1.22 1.2394 -1 5 4 77.77 1.64 1.2281 -7 7 1 78.38 1.48 1.2201 -4 4 4 79.48 1.19 1.2059 -6 10 1 80.05 1.35 1.1987 -1 11 3 80.68 7.75 1.1909 -5 11 2 80.74 1.10 1.1902 1 13 2 80.83 1.79 1.1891 8 0 0 81.95 4.04 1.1757 2 0 4 82.99 1.10 1.1636 5 11 1 83.21 1.43 1.1610 -6 10 2 83.35 2.11 1.1595 4 6 3 83.88 2.11 1.1535 2 10 3 85.62 1.42 1.1345 6 6 2 86.72 1.31 1.1228 7 9 0 88.20 1.14 1.1078 -6 4 4 88.49 1.03 1.1049 8 6 0 88.60 2.43 1.1038 3 1 4 89.43 1.05 1.0957 0 16 1 89.80 1.30 1.0921 5 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.