Hastingsite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070250 Makino K, Tomita K American Mineralogist 74 (1989) 1097-1105 Cation distribution in the octahedral sites of hornblendes sample O-H from Obira, Japan CELL PARAMETERS: 9.9150 18.1930 5.3314 90.000 104.989 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.27740 0.08460 0.29580 0.580 0.450 Al 0.27740 0.08460 0.29580 0.420 0.450 Si 0.29150 0.17170 0.80890 1.000 0.520 Mg 0.00000 0.09150 0.50000 0.060 0.530 Fe 0.00000 0.09150 0.50000 0.940 0.530 Mg 0.00000 0.17870 0.00000 0.150 0.370 Fe 0.00000 0.17870 0.00000 0.850 0.370 Mg 0.00000 0.00000 0.00000 0.130 0.380 Fe 0.00000 0.00000 0.00000 0.870 0.380 Ca 0.00000 0.28060 0.50000 1.000 0.910 Na 0.03650 0.50000 0.04720 0.990 1.740 Na 0.00000 0.47560 0.00000 0.990 1.930 O 0.10480 0.08960 0.21160 1.000 0.550 O 0.12270 0.17630 0.72970 1.000 0.760 OH 0.12350 0.00000 0.71400 1.000 1.140 O 0.36610 0.24780 0.78930 1.000 1.040 O 0.34420 0.13630 0.09910 1.000 1.050 O 0.33970 0.11980 0.59200 1.000 0.950 O 0.32990 0.00000 0.29280 1.000 1.100 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: 8.585606441 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.72 1.79 9.0965 0 2 0 10.44 55.65 8.4750 1 1 0 17.22 7.91 5.1500 0 0 1 17.31 13.60 5.1236 1 3 0 18.53 38.24 4.7888 2 0 0 19.52 4.99 4.5483 0 4 0 19.81 2.78 4.4816 0 2 1 20.96 3.64 4.2375 2 2 0 21.83 5.15 4.0711 -2 0 1 22.15 22.18 4.0124 1 1 1 23.95 4.61 3.7159 -2 2 1 26.14 16.75 3.4091 0 4 1 26.18 85.66 3.4044 1 3 1 26.20 7.61 3.4014 1 5 0 27.04 42.13 3.2979 2 4 0 28.38 51.78 3.1445 3 1 0 29.26 11.09 3.0517 -3 1 1 29.45 9.04 3.0334 -2 4 1 29.46 3.66 3.0322 0 6 0 30.22 41.66 2.9570 2 2 1 31.67 31.35 2.8250 3 3 0 32.47 42.83 2.7571 -3 3 1 32.86 99.90 2.7255 1 5 1 34.32 86.83 2.6129 0 6 1 34.82 8.01 2.5766 2 4 1 34.84 1.40 2.5750 0 0 2 35.03 1.64 2.5618 2 6 0 35.04 100.00 2.5610 -2 0 2 35.80 2.17 2.5083 1 7 0 36.26 1.15 2.4776 0 2 2 36.83 3.01 2.4402 -1 3 2 36.97 5.89 2.4318 -2 6 1 37.48 12.02 2.3998 3 5 0 37.56 13.14 2.3944 4 0 0 38.17 36.81 2.3578 -3 5 1 38.43 19.07 2.3423 -4 2 1 38.86 10.84 2.3177 -1 7 1 38.89 1.87 2.3155 4 2 0 39.17 14.66 2.3001 -3 1 2 39.75 5.49 2.2676 3 3 1 40.25 1.52 2.2408 0 4 2 40.42 10.13 2.2315 -2 4 2 41.08 2.04 2.1972 1 7 1 41.48 55.55 2.1767 2 6 1 41.70 11.47 2.1658 -3 3 2 42.02 6.84 2.1503 -1 5 2 42.25 4.29 2.1392 -4 4 1 44.02 31.80 2.0569 2 0 2 44.51 25.32 2.0356 -4 0 2 44.65 20.29 2.0294 3 5 1 44.98 1.72 2.0156 3 7 0 45.57 1.01 1.9905 -3 7 1 45.88 3.79 1.9779 1 9 0 46.25 1.58 1.9627 0 6 2 46.41 1.10 1.9565 -2 6 2 46.44 5.48 1.9554 -3 5 2 47.74 3.26 1.9050 5 1 0 48.05 14.57 1.8934 -4 6 1 48.41 2.36 1.8803 -1 9 1 48.61 2.13 1.8732 -5 3 1 49.03 3.98 1.8580 -4 4 2 50.14 8.15 1.8193 0 10 0 50.17 1.94 1.8184 4 4 1 50.29 3.20 1.8142 1 9 1 51.84 4.10 1.7636 -5 1 2 51.87 1.98 1.7628 -1 1 3 52.86 3.79 1.7320 -5 5 1 53.41 1.00 1.7154 0 10 1 53.78 1.10 1.7045 0 8 2 53.91 5.57 1.7007 2 10 0 53.92 3.52 1.7005 -2 8 2 53.93 9.46 1.7001 -1 3 3 54.19 3.63 1.6925 -3 9 1 54.39 6.12 1.6869 0 2 3 55.34 32.51 1.6601 4 6 1 55.75 4.02 1.6489 4 8 0 55.79 1.87 1.6476 -2 4 3 56.46 16.54 1.6298 1 11 0 57.37 1.61 1.6061 0 4 3 57.76 9.50 1.5963 6 0 0 57.91 22.72 1.5925 -1 5 3 59.09 9.67 1.5634 4 0 2 59.75 15.90 1.5478 -6 0 2 59.84 1.68 1.5456 -3 5 3 60.53 3.54 1.5296 1 9 2 60.64 29.43 1.5271 -2 6 3 61.10 2.38 1.5167 -4 8 2 61.13 10.78 1.5161 0 12 0 61.22 1.10 1.5140 -4 4 3 61.37 7.27 1.5106 5 5 1 62.14 5.24 1.4939 0 6 3 62.51 1.76 1.4859 0 10 2 62.64 7.29 1.4831 -2 10 2 62.84 2.15 1.4789 1 5 3 62.86 3.10 1.4785 4 4 2 63.33 6.46 1.4685 3 11 0 63.49 1.55 1.4653 -6 4 2 63.57 1.67 1.4636 -1 7 3 64.02 1.23 1.4544 0 12 1 64.26 32.37 1.4494 -6 6 1 64.31 4.22 1.4486 4 10 0 64.70 3.46 1.4407 -5 3 3 65.82 3.74 1.4189 -4 6 3 66.16 1.38 1.4125 6 6 0 68.29 5.13 1.3735 -5 5 3 68.37 10.36 1.3720 5 1 2 68.81 3.43 1.3644 7 1 0 68.90 2.55 1.3627 2 10 2 69.27 2.47 1.3565 -4 10 2 69.62 9.31 1.3505 1 11 2 69.86 6.43 1.3465 -3 11 2 70.08 8.85 1.3428 2 6 3 70.11 1.07 1.3422 -6 2 3 70.13 2.89 1.3418 5 3 2 70.70 1.58 1.3325 -5 9 2 70.72 2.02 1.3322 -1 9 3 71.16 1.01 1.3249 1 13 1 71.47 9.47 1.3199 -7 5 1 71.56 5.20 1.3185 -1 1 4 72.33 1.47 1.3065 0 12 2 72.44 13.88 1.3046 -2 12 2 73.29 2.99 1.2916 -1 3 4 73.56 5.49 1.2875 0 0 4 73.85 1.46 1.2831 3 5 3 74.01 1.93 1.2809 4 12 0 74.03 7.94 1.2805 -4 0 4 77.03 1.22 1.2380 -2 14 1 78.19 2.09 1.2225 6 0 2 79.23 9.76 1.2091 -5 11 2 80.17 3.21 1.1972 8 0 0 81.11 1.35 1.1857 4 10 2 81.68 2.30 1.1789 -6 10 2 81.77 1.22 1.1778 7 5 1 82.33 1.19 1.1712 -8 4 2 82.45 5.86 1.1698 2 0 4 83.63 1.33 1.1563 2 10 3 85.75 1.30 1.1331 7 9 0 86.67 1.94 1.1234 -6 4 4 86.94 1.28 1.1206 5 3 3 87.95 2.23 1.1103 0 16 1 89.25 1.94 1.0975 3 1 4 89.49 1.78 1.0951 -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.