Taramite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070238 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: A6 - Q99 N.3 CELL PARAMETERS: 9.8980 18.1190 5.3550 90.000 104.780 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.28090 0.08690 0.30210 0.760 0.440 Al 0.28090 0.08690 0.30210 0.240 0.440 Si 0.29210 0.17400 0.81570 1.000 0.430 Mg 0.00000 0.09010 0.50000 0.780 0.550 Fe 0.00000 0.09010 0.50000 0.220 0.550 Al 0.00000 0.17820 0.00000 0.600 0.540 Ti 0.00000 0.17820 0.00000 0.020 0.540 Fe 0.00000 0.17820 0.00000 0.280 0.540 Mg 0.00000 0.17820 0.00000 0.100 0.540 Mg 0.00000 0.00000 0.00000 0.580 0.490 Fe 0.00000 0.00000 0.00000 0.420 0.490 Fe 0.00000 0.28060 0.50000 0.030 0.770 Ca 0.00000 0.28060 0.50000 0.600 0.770 Na 0.00000 0.28060 0.50000 0.370 0.770 Na 0.03690 0.50000 0.08960 1.000 2.920 Na 0.00000 0.47330 0.00000 1.000 2.870 H 0.19600 0.00000 0.76250 1.000 1.710 O 0.10470 0.09200 0.21160 1.000 0.730 O 0.11960 0.17430 0.74260 1.000 0.670 Oh 0.10960 0.00000 0.70950 1.000 0.720 O 0.36870 0.25200 0.79450 1.000 0.730 O 0.35350 0.13990 0.10890 1.000 0.880 O 0.34250 0.11780 0.60940 1.000 0.880 O 0.33810 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: 5.554326684 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.76 2.38 9.0595 0 2 0 10.45 1.78 8.4625 1 1 0 17.13 19.57 5.1778 0 0 1 17.36 9.88 5.1076 1 3 0 18.54 14.59 4.7852 2 0 0 19.60 4.72 4.5297 0 4 0 19.75 3.42 4.4954 0 2 1 21.00 7.24 4.2313 2 2 0 21.84 8.20 4.0697 -2 0 1 22.05 24.80 4.0304 1 1 1 23.97 9.08 3.7123 -2 2 1 26.12 100.00 3.4114 1 3 1 26.14 13.80 3.4093 0 4 1 26.30 6.28 3.3890 1 5 0 27.11 71.13 3.2896 2 4 0 28.41 45.63 3.1418 3 1 0 28.44 1.04 3.1379 2 0 1 29.31 15.06 3.0469 -3 1 1 29.51 4.65 3.0273 -2 4 1 29.58 6.26 3.0198 0 6 0 30.14 69.73 2.9650 2 2 1 30.18 14.30 2.9608 -1 5 1 31.72 35.62 2.8208 3 3 0 32.54 56.76 2.7515 -3 3 1 32.87 89.08 2.7250 1 5 1 34.38 84.58 2.6086 0 6 1 34.65 1.89 2.5889 0 0 2 34.78 3.55 2.5794 2 4 1 34.95 95.32 2.5676 -2 0 2 35.14 3.16 2.5538 2 6 0 35.94 2.21 2.4987 1 7 0 37.56 14.34 2.3945 3 5 0 37.59 4.54 2.3926 4 0 0 38.27 31.79 2.3517 -3 5 1 38.51 33.35 2.3377 -4 2 1 38.93 2.28 2.3133 4 2 0 38.97 20.38 2.3114 -1 7 1 39.13 10.26 2.3019 -3 1 2 39.68 4.68 2.2712 3 3 1 39.80 1.25 2.2649 0 8 0 40.12 3.38 2.2477 0 4 2 40.38 15.72 2.2337 -2 4 2 41.15 1.07 2.1939 1 7 1 41.50 48.49 2.1759 2 6 1 41.69 14.11 2.1663 -3 3 2 41.96 7.94 2.1533 -1 5 2 42.35 3.19 2.1343 -4 4 1 42.74 1.72 2.1156 4 4 0 43.80 27.19 2.0670 2 0 2 44.24 1.85 2.0472 2 8 0 44.53 24.55 2.0348 -4 0 2 44.63 16.73 2.0303 3 5 1 45.11 2.83 2.0100 3 7 0 45.85 2.35 1.9790 -2 8 1 46.07 4.24 1.9701 1 9 0 46.19 1.07 1.9655 0 6 2 46.47 5.79 1.9543 -3 5 2 47.78 10.09 1.9035 5 1 0 48.19 7.04 1.8883 -4 6 1 48.40 1.97 1.8805 2 4 2 48.57 7.95 1.8743 -1 9 1 48.71 2.99 1.8693 -5 3 1 48.95 3.13 1.8609 -1 7 2 49.08 8.04 1.8562 -4 4 2 49.99 1.85 1.8247 5 3 0 50.12 1.54 1.8200 4 4 1 50.36 8.42 1.8119 0 10 0 50.42 2.76 1.8100 1 9 1 51.04 1.43 1.7895 3 1 2 51.60 1.60 1.7712 -1 1 3 51.90 2.55 1.7616 -5 1 2 53.59 1.59 1.7102 0 10 1 53.69 7.89 1.7071 -1 3 3 53.85 1.17 1.7025 3 9 0 53.99 4.18 1.6985 -2 8 2 54.09 9.99 1.6954 0 2 3 54.12 2.16 1.6945 2 10 0 54.39 3.80 1.6869 -3 9 1 55.34 33.21 1.6602 4 6 1 55.63 1.58 1.6522 -2 4 3 55.90 6.20 1.6448 4 8 0 56.71 12.66 1.6233 1 11 0 57.71 25.56 1.5974 -1 5 3 57.80 7.28 1.5951 6 0 0 58.85 1.01 1.5691 2 10 1 58.86 9.86 1.5689 4 0 2 59.00 1.55 1.5655 -5 7 1 59.85 18.74 1.5455 -6 0 2 60.52 32.35 1.5299 -2 6 3 60.53 4.55 1.5296 1 9 2 60.92 1.04 1.5207 -3 9 2 61.24 5.13 1.5137 -4 8 2 61.35 6.35 1.5112 5 5 1 61.40 12.58 1.5099 0 12 0 61.92 1.17 1.4985 0 6 3 62.54 1.83 1.4852 2 2 3 62.56 2.12 1.4847 1 5 3 62.67 2.99 1.4825 4 4 2 62.76 7.00 1.4804 -2 10 2 63.43 2.50 1.4665 -1 7 3 63.57 7.03 1.4636 3 11 0 63.61 1.91 1.4627 -6 4 2 64.06 1.12 1.4537 -3 11 1 64.22 1.37 1.4503 -4 10 1 64.26 1.51 1.4495 0 12 1 64.43 40.69 1.4461 -6 6 1 64.51 3.89 1.4445 4 10 0 64.69 3.68 1.4410 -5 3 3 65.80 1.94 1.4192 -4 6 3 66.27 1.25 1.4104 6 6 0 66.39 1.45 1.4082 6 2 1 68.15 13.40 1.3760 5 1 2 68.31 5.96 1.3732 -5 5 3 68.87 2.26 1.3633 7 1 0 68.92 1.33 1.3625 2 10 2 69.46 1.19 1.3532 -4 10 2 69.69 11.38 1.3493 1 11 2 69.80 7.55 1.3474 2 6 3 69.92 3.61 1.3453 5 3 2 69.94 1.22 1.3451 -1 13 1 70.05 4.88 1.3432 -3 11 2 70.15 1.33 1.3416 -6 2 3 70.64 1.21 1.3335 7 3 0 70.64 2.19 1.3334 -1 9 3 70.89 2.02 1.3293 -5 9 2 71.16 6.88 1.3250 -1 1 4 71.42 1.58 1.3207 1 13 1 71.51 1.50 1.3193 -3 1 4 71.64 9.13 1.3172 -7 5 1 72.46 3.80 1.3043 0 12 2 72.64 13.32 1.3015 -2 12 2 72.90 3.59 1.2976 -1 3 4 73.10 3.35 1.2945 0 0 4 73.26 1.65 1.2922 -3 3 4 73.46 1.59 1.2891 6 6 1 73.81 6.48 1.2838 -4 0 4 77.37 2.39 1.2333 -2 14 1 78.37 1.06 1.2201 7 3 1 79.48 10.23 1.2058 -5 11 2 80.24 2.94 1.1963 8 0 0 81.91 6.08 1.1762 2 0 4 81.94 2.30 1.1758 -6 10 2 82.53 1.93 1.1689 -8 4 2 83.48 2.27 1.1580 2 10 3 85.37 1.18 1.1371 3 9 3 85.94 1.72 1.1310 7 9 0 86.54 1.90 1.1247 5 3 3 86.60 3.42 1.1240 -6 4 4 87.44 1.25 1.1155 -7 7 3 88.35 1.72 1.1063 0 16 1 88.66 1.87 1.1032 3 1 4 89.86 3.52 1.0916 5 5 3 89.92 1.29 1.0910 -2 16 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.