Taramite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R061101 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: A5 - G230F N.3 CELL PARAMETERS: 9.8510 17.9900 5.3300 90.000 104.720 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.28100 0.08700 0.30220 0.780 0.430 Al 0.28100 0.08700 0.30220 0.220 0.430 Si 0.29200 0.17410 0.81570 1.000 0.410 Mg 0.00000 0.08990 0.50000 0.910 0.540 Fe 0.00000 0.08990 0.50000 0.090 0.540 Al 0.00000 0.17810 0.00000 0.560 0.540 Ti 0.00000 0.17810 0.00000 0.020 0.540 Fe 0.00000 0.17810 0.00000 0.250 0.540 Mg 0.00000 0.17810 0.00000 0.170 0.540 Mg 0.00000 0.00000 0.00000 0.780 0.490 Fe 0.00000 0.00000 0.00000 0.220 0.490 Ca 0.00000 0.28040 0.50000 0.530 0.750 Na 0.00000 0.28040 0.50000 0.470 0.750 Na 0.03040 0.50000 0.08060 1.000 3.130 Na 0.00000 0.47350 0.00000 1.000 2.480 H 0.19810 0.00000 0.76820 1.000 1.340 O 0.10480 0.09180 0.21150 1.000 0.700 O 0.11920 0.17370 0.74310 1.000 0.630 Oh 0.10950 0.00000 0.70930 1.000 0.720 O 0.36850 0.25250 0.79570 1.000 0.730 O 0.35370 0.13980 0.10860 1.000 0.870 O 0.34240 0.11760 0.60950 1.000 0.900 O 0.33820 0.00000 0.27630 1.000 1.080 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.943163697 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.83 1.46 8.9950 0 2 0 17.20 21.63 5.1551 0 0 1 17.47 12.53 5.0751 1 3 0 18.63 8.18 4.7638 2 0 0 19.74 5.25 4.4975 0 4 0 19.85 2.30 4.4726 0 2 1 21.10 6.18 4.2099 2 2 0 21.95 8.65 4.0489 -2 0 1 22.15 25.90 4.0134 1 1 1 24.10 7.20 3.6921 -2 2 1 26.26 100.00 3.3942 1 3 1 26.30 11.21 3.3890 0 4 1 26.48 5.26 3.3660 1 5 0 27.27 66.26 3.2703 2 4 0 28.54 35.70 3.1275 3 1 0 28.56 1.56 3.1252 2 0 1 29.47 14.83 3.0314 -3 1 1 29.69 3.36 3.0091 -2 4 1 29.80 6.02 2.9983 0 6 0 30.28 66.28 2.9521 2 2 1 30.38 18.68 2.9419 -1 5 1 31.89 37.12 2.8066 3 3 0 32.73 55.36 2.7365 -3 3 1 33.06 72.01 2.7093 1 5 1 34.61 72.35 2.5918 0 6 1 34.81 2.72 2.5775 0 0 2 34.96 2.86 2.5664 2 4 1 35.12 83.66 2.5549 -2 0 2 35.37 3.34 2.5376 2 6 0 36.20 2.51 2.4813 1 7 0 37.77 3.32 2.3819 4 0 0 37.78 13.61 2.3810 3 5 0 38.51 25.35 2.3378 -3 5 1 38.71 30.92 2.3258 -4 2 1 39.12 2.16 2.3026 4 2 0 39.24 21.31 2.2960 -1 7 1 39.34 7.95 2.2901 -3 1 2 39.87 5.55 2.2609 3 3 1 40.10 1.07 2.2487 0 8 0 40.33 3.42 2.2363 0 4 2 40.61 14.61 2.2215 -2 4 2 41.75 42.50 2.1636 2 6 1 41.93 14.32 2.1547 -3 3 2 42.20 7.44 2.1413 -1 5 2 42.59 2.53 2.1227 -4 4 1 42.97 1.79 2.1049 4 4 0 43.99 24.14 2.0586 2 0 2 44.56 1.66 2.0336 2 8 0 44.77 20.47 2.0244 -4 0 2 44.87 11.85 2.0201 3 5 1 45.40 2.16 1.9978 3 7 0 46.18 1.79 1.9659 -2 8 1 46.42 4.38 1.9563 1 9 0 46.46 1.19 1.9546 0 6 2 46.75 5.19 1.9432 -3 5 2 48.01 11.96 1.8949 5 1 0 48.49 5.36 1.8773 -4 6 1 48.64 1.67 1.8718 2 4 2 48.93 7.18 1.8615 -1 9 1 48.98 3.15 1.8598 -5 3 1 49.26 2.49 1.8498 -1 7 2 49.37 7.23 1.8460 -4 4 2 50.24 1.28 1.8161 5 3 0 50.37 1.50 1.8116 4 4 1 50.75 6.93 1.7990 0 10 0 50.77 3.12 1.7982 1 9 1 51.26 2.32 1.7822 3 1 2 51.86 1.80 1.7630 -1 1 3 52.19 1.86 1.7527 -5 1 2 53.97 8.14 1.6989 -1 3 3 53.98 1.42 1.6985 0 10 1 54.22 1.32 1.6917 3 9 0 54.35 4.01 1.6880 -2 8 2 54.36 9.75 1.6878 0 2 3 54.52 1.42 1.6830 2 10 0 54.77 3.81 1.6760 -3 9 1 55.64 30.42 1.6518 4 6 1 55.94 1.37 1.6438 -2 4 3 56.26 5.75 1.6352 4 8 0 57.15 10.08 1.6119 1 11 0 58.03 21.15 1.5893 -1 5 3 58.09 6.37 1.5879 6 0 0 59.12 8.90 1.5626 4 0 2 59.27 1.03 1.5591 2 10 1 59.37 1.68 1.5566 -5 7 1 60.18 16.52 1.5377 -6 0 2 60.88 28.90 1.5217 -2 6 3 60.93 4.77 1.5206 1 9 2 61.34 1.05 1.5112 -3 9 2 61.65 4.64 1.5046 -4 8 2 61.67 4.57 1.5041 5 5 1 61.89 11.29 1.4992 0 12 0 62.83 1.60 1.4790 2 2 3 62.89 1.27 1.4777 1 5 3 62.97 3.04 1.4760 4 4 2 63.22 5.76 1.4709 -2 10 2 63.81 2.07 1.4586 -1 7 3 63.99 1.90 1.4550 -6 4 2 64.04 5.72 1.4540 3 11 0 64.68 1.36 1.4411 -4 10 1 64.76 1.32 1.4395 0 12 1 64.82 37.00 1.4383 -6 6 1 64.96 3.28 1.4356 4 10 0 65.07 3.63 1.4334 -5 3 3 66.21 1.43 1.4114 -4 6 3 66.65 1.33 1.4033 6 6 0 66.71 1.53 1.4021 6 2 1 68.46 11.26 1.3704 5 1 2 68.73 4.96 1.3658 -5 5 3 69.22 1.58 1.3572 7 1 0 69.38 1.11 1.3546 2 10 2 70.18 6.84 1.3410 2 6 3 70.18 9.57 1.3410 1 11 2 70.26 4.01 1.3397 5 3 2 70.50 1.13 1.3357 -1 13 1 70.56 1.17 1.3347 -6 2 3 70.57 3.86 1.3346 -3 11 2 71.01 1.49 1.3273 7 3 0 71.11 2.35 1.3258 -1 9 3 71.38 2.03 1.3214 -5 9 2 71.53 5.69 1.3190 -1 1 4 71.92 1.81 1.3129 -3 1 4 71.99 1.57 1.3117 1 13 1 72.07 7.44 1.3105 -7 5 1 73.01 3.86 1.2959 0 12 2 73.20 11.90 1.2930 -2 12 2 73.30 3.83 1.2915 -1 3 4 73.48 2.92 1.2888 0 0 4 73.68 1.36 1.2858 -3 3 4 73.87 1.66 1.2830 6 6 1 74.24 5.71 1.2775 -4 0 4 78.02 2.31 1.2248 -2 14 1 78.78 1.21 1.2148 7 3 1 80.08 8.86 1.1984 -5 11 2 80.68 2.64 1.1910 8 0 0 82.32 5.51 1.1713 2 0 4 82.53 1.89 1.1689 -6 10 2 83.05 1.86 1.1629 -8 4 2 84.03 1.94 1.1518 2 10 3 86.51 1.81 1.1250 7 9 0 86.99 2.00 1.1201 5 3 3 87.17 3.19 1.1182 -6 4 4 88.04 1.28 1.1093 -7 7 3 89.13 1.49 1.0987 3 1 4 89.14 1.33 1.0985 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.