Katophorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050633 Hawthorne F C, Oberti R, Sardone N The Canadian Mineralogist 34 (1996) 577-593 Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A7 - D163 N.2 CELL PARAMETERS: 9.8520 18.0380 5.2905 90.000 103.635 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.28110 0.08690 0.30040 0.810 0.440 Al 0.28110 0.08690 0.30040 0.190 0.440 Si 0.29240 0.17380 0.81410 1.000 0.460 Mg 0.00000 0.09030 0.50000 0.750 0.560 Fe 0.00000 0.09030 0.50000 0.250 0.560 Al 0.00000 0.17840 0.00000 0.610 0.550 Ti 0.00000 0.17840 0.00000 0.020 0.550 Fe 0.00000 0.17840 0.00000 0.180 0.550 Mg 0.00000 0.17840 0.00000 0.190 0.550 Mg 0.00000 0.00000 0.00000 0.540 0.530 Fe 0.00000 0.00000 0.00000 0.460 0.530 Fe 0.00000 0.27970 0.50000 0.020 0.770 Ca 0.00000 0.27970 0.50000 0.280 0.770 Na 0.00000 0.27970 0.50000 0.200 0.770 Fe 0.00000 0.25680 0.50000 0.020 2.080 Ca 0.00000 0.25680 0.50000 0.280 2.080 Na 0.00000 0.25680 0.50000 0.200 2.080 Na 0.04370 0.50000 0.10040 1.000 3.430 Na 0.00000 0.47470 0.00000 1.000 2.950 H 0.18800 0.00000 0.75620 0.870 1.150 O 0.10540 0.09230 0.20940 1.000 0.760 O 0.11910 0.17430 0.74380 1.000 0.680 Oh 0.10980 0.00000 0.70850 0.870 0.860 F 0.10980 0.00000 0.70850 0.130 0.860 O 0.36940 0.25200 0.79590 1.000 0.830 O 0.35360 0.13860 0.10530 1.000 0.970 O 0.34230 0.11880 0.60400 1.000 0.930 O 0.33720 0.00000 0.28010 1.000 1.140 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.130616512 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.80 / 9.82 4.32 / 2.16 9.0190 0 2 0 10.45 / 10.48 4.96 / 2.48 8.4569 1 1 0 17.23 / 17.28 17.98 / 8.99 5.1414 0 0 1 17.40 / 17.45 15.23 / 7.62 5.0919 1 3 0 18.52 / 18.57 14.12 / 7.06 4.7872 2 0 0 19.67 / 19.72 3.56 / 1.78 4.5095 0 4 0 19.86 / 19.91 4.95 / 2.47 4.4666 0 2 1 20.99 / 21.04 8.50 / 4.25 4.2284 2 2 0 22.01 / 22.06 31.15 / 15.58 4.0360 1 1 1 22.17 / 22.23 7.55 / 3.78 4.0061 -2 0 1 22.97 / 23.03 1.76 / 0.88 3.8685 -1 3 1 24.29 / 24.35 10.43 / 5.22 3.6612 -2 2 1 26.11 / 26.17 89.90 / 44.95 3.4104 1 3 1 26.27 / 26.33 12.96 / 6.48 3.3902 0 4 1 26.38 / 26.45 3.36 / 1.68 3.3759 1 5 0 27.14 / 27.21 87.00 / 43.50 3.2825 2 4 0 28.38 / 28.45 56.86 / 28.43 3.1426 3 1 0 29.65 / 29.73 19.72 / 9.86 3.0103 -3 1 1 29.69 / 29.77 3.97 / 1.98 3.0063 0 6 0 29.81 / 29.88 4.61 / 2.31 2.9950 -2 4 1 30.00 / 30.08 78.91 / 39.46 2.9759 2 2 1 30.42 / 30.50 23.91 / 11.95 2.9361 -1 5 1 31.72 / 31.80 42.18 / 21.09 2.8190 3 3 0 32.87 / 32.96 49.30 / 24.65 2.7223 -3 3 1 32.90 / 32.98 88.84 / 44.42 2.7201 1 5 1 34.53 / 34.62 97.86 / 48.93 2.5952 0 6 1 34.69 / 34.78 3.11 / 1.56 2.5837 2 4 1 34.87 / 34.96 2.40 / 1.20 2.5707 0 0 2 35.22 / 35.31 1.30 / 0.65 2.5459 2 6 0 35.50 / 35.59 100.00 / 50.00 2.5266 -2 0 2 36.07 / 36.16 5.24 / 2.62 2.4883 1 7 0 37.54 / 37.64 3.97 / 1.99 2.3936 4 0 0 37.60 / 37.69 12.15 / 6.07 2.3903 3 5 0 38.60 / 38.70 26.59 / 13.29 2.3305 -3 5 1 38.84 / 38.94 37.11 / 18.55 2.3165 -4 2 1 38.90 / 39.00 2.46 / 1.23 2.3135 4 2 0 39.21 / 39.31 17.14 / 8.57 2.2956 -1 7 1 39.50 / 39.60 2.15 / 1.08 2.2798 3 3 1 39.78 / 39.89 12.36 / 6.18 2.2639 -3 1 2 39.95 / 40.06 3.70 / 1.85 2.2548 0 8 0 40.35 / 40.46 3.70 / 1.85 2.2333 0 4 2 40.91 / 41.01 18.21 / 9.11 2.2042 -2 4 2 41.23 / 41.34 3.35 / 1.67 2.1878 1 7 1 41.47 / 41.58 56.99 / 28.49 2.1756 2 6 1 42.33 / 42.44 16.06 / 8.03 2.1335 -3 3 2 42.35 / 42.46 6.36 / 3.18 2.1324 -1 5 2 42.68 / 42.80 3.30 / 1.65 2.1165 -4 4 1 42.73 / 42.84 2.12 / 1.06 2.1142 4 4 0 43.68 / 43.80 27.52 / 13.76 2.0705 2 0 2 44.37 / 44.49 4.67 / 2.33 2.0398 2 8 0 44.49 / 44.61 15.87 / 7.93 2.0346 3 5 1 45.19 / 45.31 1.81 / 0.90 2.0049 3 7 0 45.23 / 45.35 23.74 / 11.87 2.0030 -4 0 2 46.05 / 46.17 1.23 / 0.62 1.9692 -3 7 1 46.16 / 46.28 1.33 / 0.66 1.9649 -2 8 1 46.24 / 46.36 2.61 / 1.30 1.9617 1 9 0 47.08 / 47.21 5.07 / 2.53 1.9285 -3 5 2 47.72 / 47.85 9.91 / 4.96 1.9042 5 1 0 48.33 / 48.46 2.29 / 1.14 1.8816 2 4 2 48.54 / 48.66 8.64 / 4.32 1.8741 -4 6 1 48.84 / 48.97 7.19 / 3.59 1.8630 -1 9 1 49.04 / 49.17 1.75 / 0.87 1.8559 -5 3 1 49.34 / 49.48 1.75 / 0.87 1.8453 -1 7 2 49.77 / 49.90 9.63 / 4.81 1.8306 -4 4 2 49.90 / 50.03 1.30 / 0.65 1.8262 4 4 1 49.94 / 50.08 2.05 / 1.02 1.8246 5 3 0 50.55 / 50.69 4.50 / 2.25 1.8040 1 9 1 50.56 / 50.69 6.83 / 3.42 1.8038 0 10 0 52.16 / 52.30 1.82 / 0.91 1.7522 -1 1 3 52.64 / 52.78 3.42 / 1.71 1.7373 -5 1 2 52.70 / 52.84 1.41 / 0.71 1.7356 1 7 2 54.05 / 54.20 1.72 / 0.86 1.6951 0 8 2 54.25 / 54.39 6.11 / 3.05 1.6896 -1 3 3 54.30 / 54.45 1.00 / 0.50 1.6880 2 10 0 54.45 / 54.60 10.42 / 5.21 1.6837 0 2 3 54.50 / 54.65 2.66 / 1.33 1.6823 -2 8 2 54.72 / 54.86 1.19 / 0.59 1.6762 -5 3 2 54.74 / 54.89 5.00 / 2.50 1.6755 -3 9 1 55.16 / 55.31 39.53 / 19.77 1.6636 4 6 1 55.98 / 56.13 4.89 / 2.45 1.6412 4 8 0 56.36 / 56.51 1.36 / 0.68 1.6312 -2 4 3 56.92 / 57.08 12.30 / 6.15 1.6163 1 11 0 57.73 / 57.88 7.27 / 3.64 1.5957 6 0 0 58.27 / 58.43 25.23 / 12.61 1.5822 -1 5 3 58.51 / 58.67 9.88 / 4.94 1.5762 4 0 2 58.94 / 59.10 2.44 / 1.22 1.5656 2 10 1 60.61 / 60.77 19.01 / 9.50 1.5266 -6 0 2 60.70 / 60.87 3.54 / 1.77 1.5244 1 9 2 61.09 / 61.26 6.03 / 3.02 1.5157 5 5 1 61.24 / 61.41 34.42 / 17.21 1.5122 -2 6 3 61.65 / 61.82 16.54 / 8.27 1.5032 0 12 0 61.91 / 62.08 7.17 / 3.59 1.4975 -4 8 2 62.02 / 62.20 1.13 / 0.56 1.4951 4 8 1 62.31 / 62.48 1.74 / 0.87 1.4889 0 6 3 62.35 / 62.52 3.56 / 1.78 1.4880 4 4 2 62.52 / 62.69 2.09 / 1.05 1.4843 2 2 3 62.76 / 62.93 1.58 / 0.79 1.4793 1 5 3 63.29 / 63.47 5.63 / 2.82 1.4681 -2 10 2 63.76 / 63.93 6.55 / 3.27 1.4585 3 11 0 64.00 / 64.18 3.89 / 1.94 1.4536 -1 7 3 64.38 / 64.56 1.97 / 0.99 1.4460 -6 4 2 64.44 / 64.62 1.09 / 0.55 1.4446 -3 11 1 64.61 / 64.79 2.67 / 1.33 1.4413 -4 10 1 64.65 / 64.83 2.65 / 1.33 1.4405 4 10 0 64.79 / 64.97 45.08 / 22.54 1.4378 -6 6 1 65.79 / 65.98 3.15 / 1.58 1.4182 -5 3 3 66.03 / 66.21 1.47 / 0.74 1.4138 6 2 1 66.68 / 66.86 1.16 / 0.58 1.4016 5 7 1 66.80 / 66.99 2.41 / 1.21 1.3993 -4 6 3 67.70 / 67.89 16.06 / 8.03 1.3829 5 1 2 68.77 / 68.97 3.09 / 1.54 1.3638 7 1 0 69.41 / 69.61 5.14 / 2.57 1.3529 -5 5 3 69.49 / 69.69 4.19 / 2.10 1.3515 5 3 2 69.84 / 70.04 8.74 / 4.37 1.3457 2 6 3 69.91 / 70.11 11.67 / 5.83 1.3444 1 11 2 70.30 / 70.50 1.20 / 0.60 1.3380 -1 13 1 70.56 / 70.76 1.30 / 0.65 1.3337 7 3 0 70.68 / 70.88 4.19 / 2.10 1.3317 -3 11 2 71.10 / 71.31 1.34 / 0.67 1.3248 -6 8 1 71.23 / 71.44 2.72 / 1.36 1.3227 -1 9 3 71.34 / 71.55 1.47 / 0.74 1.3210 -6 2 3 71.64 / 71.84 1.53 / 0.76 1.3162 -5 9 2 71.67 / 71.88 1.55 / 0.78 1.3156 1 13 1 71.90 / 72.11 7.94 / 3.97 1.3120 -1 1 4 71.99 / 72.20 8.97 / 4.48 1.3106 -7 5 1 72.51 / 72.72 1.07 / 0.53 1.3025 6 8 0 72.66 / 72.87 1.19 / 0.60 1.3001 -3 1 4 72.83 / 73.04 2.94 / 1.47 1.2976 0 12 2 73.17 / 73.38 1.70 / 0.85 1.2924 6 6 1 73.21 / 73.42 18.24 / 9.12 1.2918 -2 12 2 73.64 / 73.85 3.53 / 1.77 1.2853 0 0 4 73.65 / 73.87 4.01 / 2.01 1.2851 -1 3 4 74.41 / 74.62 1.39 / 0.70 1.2739 -3 3 4 74.47 / 74.69 2.02 / 1.01 1.2730 4 12 0 75.14 / 75.36 6.79 / 3.39 1.2633 -4 0 4 76.63 / 76.85 1.16 / 0.58 1.2424 0 10 3 77.19 / 77.42 1.02 / 0.51 1.2347 -7 7 1 77.81 / 78.04 1.22 / 0.61 1.2266 -2 14 1 80.12 / 80.36 2.90 / 1.45 1.1968 8 0 0 80.26 / 80.50 10.50 / 5.25 1.1951 -5 11 2 80.46 / 80.70 1.19 / 0.59 1.1927 2 14 1 82.01 / 82.26 6.43 / 3.22 1.1740 2 0 4 82.76 / 83.01 1.71 / 0.85 1.1653 -6 10 2 83.37 / 83.63 1.96 / 0.98 1.1582 -8 4 2 83.61 / 83.87 1.75 / 0.87 1.1555 2 10 3 85.97 / 86.24 1.29 / 0.65 1.1298 7 9 0 86.04 / 86.31 1.72 / 0.86 1.1290 5 3 3 88.27 / 88.55 3.37 / 1.68 1.1061 -6 4 4 88.56 / 88.83 2.23 / 1.12 1.1033 3 1 4 88.77 / 89.05 1.07 / 0.53 1.1012 0 16 1 89.39 / 89.67 3.19 / 1.60 1.0952 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.