Hutchinsonite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060789 Takeuchi Y, Ghose S, Nowacki W Zeitschrift fur Kristallographie 121 (1965) 321-348 The crystal structure of hutchinsonite, (Tl,Pb)2As5S9 Locality: Lengenbach, Binnatal, Valais, Switzerland CELL PARAMETERS: 10.8130 35.4310 8.1600 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Pb 0.35810 0.24690 0.10560 0.500 1.920 Tl 0.35810 0.24690 0.10560 0.500 1.920 Pb 0.33610 0.12230 0.63510 0.500 2.850 Tl 0.33610 0.12230 0.63510 0.500 2.850 As 0.10810 0.19480 0.70400 1.000 1.840 As 0.09940 0.18480 0.12610 1.000 2.000 As 0.43620 0.11530 0.13440 1.000 1.860 As 0.13640 0.04800 0.21510 1.000 1.940 As 0.38140 0.02880 0.95450 1.000 1.910 S 0.39340 0.18990 0.36440 1.000 1.820 S 0.40900 0.19060 0.86280 1.000 1.610 S 0.11230 0.25400 0.37040 1.000 1.460 S 0.12890 0.13770 0.32470 1.000 1.640 S 0.11280 0.14660 0.89530 1.000 1.550 S 0.38780 0.01510 0.68380 1.000 2.270 S 0.19420 0.05730 0.95210 1.000 2.410 S 0.43900 0.06720 0.32750 1.000 1.990 S 0.00860 0.07990 0.58590 1.000 1.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 32 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 55.43528467 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 4.99 100.00 17.7155 0 2 0 11.94 3.60 7.4116 0 2 1 14.49 1.28 6.1133 1 2 1 14.76 3.75 6.0015 0 4 1 15.00 6.93 5.9052 0 6 0 15.54 7.78 5.7036 1 3 1 16.59 20.53 5.3446 2 1 0 16.90 1.19 5.2475 1 4 1 18.55 5.21 4.7839 0 6 1 19.86 21.84 4.4710 2 1 1 20.05 8.75 4.4289 0 8 0 20.30 28.64 4.3749 1 6 1 20.33 8.38 4.3679 2 2 1 20.66 4.86 4.2983 2 5 0 21.10 1.15 4.2108 2 3 1 21.78 1.08 4.0800 0 0 2 23.30 25.64 3.8173 1 0 2 23.39 1.60 3.8030 2 5 1 23.44 8.94 3.7953 1 1 2 23.85 10.77 3.7317 1 2 2 24.01 1.72 3.7058 0 4 2 24.09 40.97 3.6950 2 7 0 24.30 2.17 3.6624 1 8 1 24.85 6.02 3.5827 2 6 1 25.13 2.59 3.5431 0 10 0 26.01 4.76 3.4261 2 8 0 26.45 1.28 3.3692 1 9 1 26.48 9.20 3.3660 2 7 1 26.55 1.01 3.3567 0 6 2 27.16 6.74 3.2828 3 1 1 27.44 3.02 3.2500 0 10 1 27.50 4.31 3.2430 2 1 2 27.52 2.45 3.2414 3 2 1 27.83 7.71 3.2058 1 6 2 28.04 21.28 3.1825 2 9 0 28.10 4.73 3.1756 3 3 1 29.30 63.41 3.0477 1 7 2 29.77 1.42 3.0008 0 8 2 29.89 7.69 2.9893 3 5 1 30.16 2.40 2.9634 2 10 0 30.20 4.73 2.9592 2 5 2 30.27 1.47 2.9526 0 12 0 30.93 20.87 2.8915 1 8 2 32.13 1.31 2.7854 2 10 1 32.24 1.72 2.7764 0 12 1 32.35 1.96 2.7671 2 11 0 32.68 40.20 2.7405 1 9 2 32.70 2.51 2.7388 2 7 2 33.14 28.29 2.7032 4 0 0 33.16 2.11 2.7012 3 0 2 33.24 2.96 2.6954 4 1 0 33.26 18.80 2.6934 3 1 2 33.33 1.66 2.6885 0 2 3 33.53 5.10 2.6723 4 2 0 33.56 1.25 2.6704 3 2 2 34.02 1.66 2.6351 4 3 0 34.08 2.80 2.6305 1 1 3 34.22 2.37 2.6206 2 11 1 34.37 4.12 2.6091 1 2 3 34.49 5.83 2.6002 0 4 3 34.70 3.19 2.5855 4 4 0 35.06 4.64 2.5594 4 1 1 35.47 7.41 2.5308 0 14 0 35.78 1.09 2.5094 2 9 2 35.81 1.83 2.5076 4 3 1 36.93 4.72 2.4337 2 13 0 37.25 1.12 2.4137 3 10 1 37.27 5.03 2.4128 4 5 1 37.34 1.48 2.4085 1 6 3 37.60 1.44 2.3920 0 12 2 37.73 2.27 2.3845 4 7 0 37.75 25.04 2.3831 3 7 2 37.80 1.31 2.3800 2 3 3 38.15 2.24 2.3590 1 14 1 38.24 1.11 2.3535 4 6 1 38.60 3.52 2.3322 2 13 1 38.85 1.37 2.3178 0 8 3 39.04 2.43 2.3074 4 8 0 40.50 12.54 2.2273 3 9 2 40.63 1.39 2.2206 1 15 1 40.75 11.31 2.2144 0 16 0 40.90 1.45 2.2067 2 14 1 41.68 3.41 2.1671 3 1 3 41.73 2.11 2.1645 2 15 0 42.03 1.61 2.1497 4 9 1 42.04 1.73 2.1492 4 10 0 42.29 2.05 2.1371 0 16 1 42.74 2.30 2.1158 1 10 3 42.87 6.03 2.1093 1 14 2 43.06 1.27 2.1007 3 13 1 43.55 1.18 2.0783 4 10 1 43.60 1.49 2.0760 5 2 1 43.74 2.04 2.0697 3 11 2 44.41 6.86 2.0400 0 0 4 44.72 4.88 2.0266 0 2 4 45.14 2.07 2.0086 1 15 2 45.14 1.54 2.0085 4 8 2 45.46 1.43 1.9953 3 7 3 45.54 2.20 1.9919 1 2 4 45.92 1.24 1.9764 1 3 4 46.06 4.08 1.9706 5 6 1 46.11 2.20 1.9684 0 18 0 46.71 2.40 1.9447 2 17 0 46.83 1.39 1.9398 2 11 3 46.91 1.20 1.9368 4 12 1 47.13 1.07 1.9282 0 6 4 47.34 1.56 1.9201 3 15 1 47.47 8.35 1.9155 1 16 2 47.59 2.97 1.9108 5 0 2 47.72 6.02 1.9059 2 1 4 47.84 1.03 1.9012 3 9 3 47.88 1.85 1.8998 5 2 2 48.58 1.41 1.8740 4 4 3 48.74 1.48 1.8683 4 13 1 49.17 4.92 1.8529 0 8 4 49.23 1.79 1.8508 4 5 3 49.33 4.47 1.8475 4 14 0 49.34 2.13 1.8469 3 14 2 50.18 2.47 1.8180 5 6 2 50.31 2.67 1.8137 2 13 3 50.93 1.03 1.7930 4 7 3 51.09 3.49 1.7876 5 7 2 51.15 5.03 1.7859 2 7 4 51.39 2.38 1.7781 3 15 2 51.90 1.13 1.7617 3 17 1 51.97 1.39 1.7596 4 8 3 52.03 1.50 1.7576 6 1 1 52.13 2.48 1.7545 5 8 2 52.19 1.05 1.7528 2 14 3 52.24 1.54 1.7511 6 2 1 52.39 1.39 1.7466 6 5 0 53.13 1.16 1.7238 4 9 3 53.13 1.66 1.7237 6 6 0 53.19 1.12 1.7221 3 5 4 53.29 1.85 1.7190 5 9 2 53.34 1.57 1.7174 2 9 4 53.49 3.62 1.7130 4 16 0 53.51 1.53 1.7125 3 16 2 54.00 2.09 1.6982 3 13 3 54.40 2.18 1.6865 6 6 1 54.41 1.35 1.6863 4 10 3 54.45 1.77 1.6851 5 2 3 54.57 1.42 1.6818 5 10 2 55.01 2.48 1.6693 6 8 0 55.40 1.65 1.6585 1 12 4 55.70 3.73 1.6501 3 17 2 55.95 1.90 1.6434 5 11 2 56.51 1.98 1.6284 4 0 4 56.56 1.91 1.6272 5 6 3 56.77 3.97 1.6215 4 2 4 56.90 1.85 1.6183 2 19 2 57.15 1.58 1.6117 5 14 1 57.36 1.09 1.6063 6 10 0 57.65 1.10 1.5989 1 3 5 57.96 2.33 1.5912 4 18 0 58.08 1.45 1.5883 0 14 4 59.64 1.22 1.5503 3 16 3 59.70 1.32 1.5489 2 3 5 59.94 1.28 1.5432 1 21 2 60.59 2.28 1.5283 4 8 4 60.63 1.46 1.5274 5 10 3 61.71 1.08 1.5033 6 13 0 61.84 3.88 1.5004 0 16 4 61.99 1.15 1.4970 6 2 3 62.57 4.43 1.4846 2 15 4 62.71 3.87 1.4815 2 23 0 63.86 1.96 1.4577 2 23 1 64.40 2.86 1.4467 5 16 2 64.56 1.81 1.4434 7 1 2 65.04 1.23 1.4340 7 3 2 65.32 1.80 1.4285 1 23 2 68.10 1.80 1.3769 1 24 2 68.29 1.48 1.3734 7 8 2 69.61 1.04 1.3506 8 1 0 70.35 1.79 1.3382 3 23 2 70.93 1.11 1.3286 1 25 2 71.98 2.21 1.3119 4 16 4 73.27 1.46 1.2919 6 8 4 73.35 1.37 1.2908 1 8 6 74.31 1.19 1.2765 1 9 6 75.80 1.10 1.2550 3 25 2 79.10 1.06 1.2108 3 9 6 80.98 1.23 1.1873 7 17 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.