Gillulyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070433 Foit F F, Robinson P D, Wilson J R American Mineralogist 80 (1995) 394-399 The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold deposit, Tooele County, Utah, U.S.A CELL PARAMETERS: 9.5760 5.6750 21.4860 90.000 100.080 90.000 SPACE GROUP: P2/n ATOM X Y Z OCCUPANCY ISO(B) Tl 0.81020 0.94830 0.14880 0.500 3.435 Tl 0.18950 0.88290 0.25890 0.500 9.024 As 0.47320 0.44720 0.08830 1.000 1.162 As 0.25870 0.90090 0.02050 1.000 1.885 As 0.09650 0.44760 0.08830 1.000 1.226 As 0.80770 0.21070 0.14460 0.430 1.187 Sb 0.80770 0.21070 0.14460 0.070 1.187 As 0.80870 0.66170 0.14680 0.460 1.180 Sb 0.80870 0.66170 0.14680 0.040 1.180 S 0.31050 0.38800 0.15430 1.000 1.650 S 0.64520 0.43700 0.18130 1.000 1.442 S 0.47080 0.85000 0.08760 1.000 2.260 S 0.24350 0.54300 -0.01910 1.000 2.387 S 0.09800 0.85200 0.08790 1.000 2.084 S 0.99800 0.43400 0.18110 1.000 1.440 S 0.84400 0.94100 0.22540 0.500 1.566 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 15.68507258 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.92 4.16 8.1006 1 0 1 14.31 17.00 6.1903 -1 0 3 16.17 12.17 5.4812 0 1 1 16.76 32.43 5.2886 0 0 4 16.97 4.90 5.2252 1 0 3 17.74 19.73 5.0007 0 1 2 18.25 20.07 4.8622 1 1 0 18.82 46.34 4.7141 2 0 0 19.09 4.31 4.6479 1 1 1 20.08 3.63 4.4211 0 1 3 20.78 1.24 4.2738 1 1 2 21.24 34.29 4.1832 -1 1 3 21.46 100.00 4.1402 -1 0 5 21.94 16.79 4.0503 2 0 2 22.99 33.52 3.8690 0 1 4 23.14 6.20 3.8440 1 1 3 23.71 31.19 3.7520 -1 1 4 24.34 3.51 3.6570 -2 1 1 24.52 54.74 3.6300 1 0 5 24.55 76.32 3.6262 2 1 0 24.86 10.27 3.5813 -2 1 2 25.47 7.62 3.4965 2 1 1 25.99 20.44 3.4285 1 1 4 26.27 12.79 3.3920 0 1 5 26.65 29.97 3.3447 -1 1 5 27.05 16.81 3.2968 2 1 2 27.46 35.65 3.2480 2 0 4 27.90 2.31 3.1983 -2 1 4 27.96 2.76 3.1908 -3 0 1 28.85 21.99 3.0952 -2 0 6 29.01 42.25 3.0778 -3 0 3 29.17 2.63 3.0615 2 1 3 29.20 38.41 3.0579 1 1 5 29.42 1.96 3.0364 -1 0 7 29.46 26.49 3.0324 3 0 1 29.83 2.08 2.9948 0 1 6 31.53 26.03 2.8375 0 2 0 31.82 54.34 2.8123 0 2 1 32.18 1.74 2.7813 -3 1 1 32.38 8.05 2.7651 -3 0 5 32.57 1.90 2.7493 3 1 0 32.66 13.87 2.7417 1 0 7 32.68 1.06 2.7406 0 2 2 32.69 2.08 2.7392 1 1 6 32.97 26.38 2.7171 1 2 0 33.11 4.11 2.7055 -3 1 3 33.18 6.63 2.7002 3 0 3 33.47 4.31 2.6773 -1 1 7 33.60 1.63 2.6674 0 1 7 33.64 1.00 2.6643 -1 2 2 33.90 2.64 2.6443 0 0 8 34.06 6.27 2.6324 0 2 3 34.32 32.86 2.6126 2 0 6 34.38 11.27 2.6083 -3 1 4 34.68 3.80 2.5866 2 1 5 34.95 5.08 2.5669 3 1 2 35.91 43.03 2.5005 -2 0 8 36.02 2.01 2.4936 1 2 3 36.13 34.84 2.4858 -3 1 5 36.40 2.30 2.4679 -1 2 4 36.86 27.38 2.4383 3 1 3 37.50 7.38 2.3981 -3 0 7 37.52 16.39 2.3969 0 1 8 37.62 23.56 2.3912 -4 0 2 37.79 3.89 2.3806 -1 0 9 37.91 1.36 2.3732 2 1 6 38.05 6.20 2.3650 -2 2 3 38.18 3.34 2.3570 4 0 0 38.19 7.94 2.3566 0 2 5 38.46 1.42 2.3406 -1 2 5 38.56 14.95 2.3348 3 0 5 39.37 1.73 2.2887 -2 2 4 40.27 1.80 2.2397 1 1 8 40.32 5.28 2.2369 2 2 3 40.65 2.01 2.2196 4 0 2 40.85 3.10 2.2090 -3 1 7 40.90 2.05 2.2067 -1 2 6 40.96 4.53 2.2036 -4 1 2 41.12 1.15 2.1952 -1 1 9 41.59 3.55 2.1716 0 1 9 41.84 1.31 2.1592 3 1 5 42.29 4.10 2.1369 2 2 4 43.26 3.34 2.0916 -2 2 6 43.37 1.40 2.0862 -3 2 3 43.69 1.51 2.0719 3 2 1 43.73 2.82 2.0701 -2 0 10 43.88 3.85 2.0634 -3 0 9 44.29 1.96 2.0451 1 1 9 44.63 3.58 2.0302 2 2 5 44.75 4.49 2.0251 4 0 4 45.77 9.93 1.9822 0 1 10 45.82 3.01 1.9803 -3 2 5 46.42 2.65 1.9561 3 2 3 46.71 1.70 1.9447 -1 2 8 46.85 3.88 1.9392 -3 1 9 46.94 5.82 1.9358 -4 0 8 47.29 2.24 1.9220 2 2 6 47.63 7.84 1.9093 -3 2 6 47.68 1.36 1.9073 4 1 4 48.03 5.18 1.8944 3 1 7 48.10 2.82 1.8917 0 3 0 48.36 14.84 1.8822 3 2 4 48.53 2.12 1.8760 -2 2 8 48.91 1.61 1.8621 0 3 2 49.16 1.12 1.8532 -1 3 1 49.26 3.36 1.8498 5 0 1 49.28 1.79 1.8490 1 2 8 49.35 2.40 1.8467 -5 0 5 49.36 2.53 1.8462 -1 1 11 49.48 2.68 1.8421 1 3 1 49.87 1.03 1.8285 -4 2 2 49.91 2.16 1.8271 0 3 3 50.04 1.25 1.8229 1 0 11 50.18 3.47 1.8180 4 0 6 50.23 2.31 1.8162 1 3 2 50.24 3.00 1.8159 2 2 7 50.27 15.15 1.8150 2 0 10 50.46 1.34 1.8085 -5 1 1 50.49 1.21 1.8075 -5 1 3 51.49 1.69 1.7749 3 1 8 51.59 8.43 1.7716 -2 2 9 51.66 11.00 1.7693 -1 3 4 51.86 8.68 1.7629 0 0 12 52.00 2.20 1.7587 5 1 1 52.08 2.91 1.7561 -5 1 5 52.10 1.45 1.7556 2 3 0 52.11 7.19 1.7550 -2 0 12 52.26 6.60 1.7505 -3 2 8 52.26 1.56 1.7504 -2 3 2 52.37 6.28 1.7469 5 0 3 52.51 7.12 1.7426 -5 0 7 52.54 1.57 1.7417 3 0 9 52.59 9.28 1.7403 2 3 1 52.74 3.85 1.7355 1 1 11 52.85 1.01 1.7323 -4 0 10 52.87 8.39 1.7317 1 3 4 52.92 4.24 1.7302 -2 3 3 53.21 2.03 1.7214 3 2 6 53.32 1.00 1.7181 5 1 2 53.43 1.47 1.7148 -5 1 6 53.46 1.47 1.7139 2 3 2 53.95 4.27 1.6996 -2 3 4 54.07 1.15 1.6960 0 2 10 54.51 1.68 1.6835 0 1 12 55.03 1.82 1.6688 -3 2 9 55.10 4.59 1.6669 0 3 6 55.13 1.51 1.6658 -5 1 7 55.16 1.60 1.6651 3 1 9 55.61 3.74 1.6528 -1 0 13 56.08 1.28 1.6400 3 2 7 56.28 2.84 1.6346 2 3 4 56.81 1.93 1.6207 3 3 0 56.83 1.50 1.6201 5 0 5 56.89 7.04 1.6184 2 2 9 57.01 2.38 1.6153 -5 0 9 57.79 17.39 1.5954 -6 0 2 57.99 9.09 1.5903 -3 3 4 58.11 5.24 1.5874 -5 2 2 58.13 3.36 1.5868 -1 1 13 58.25 1.26 1.5839 -6 0 4 58.38 5.85 1.5808 3 3 2 58.44 2.42 1.5792 -2 2 11 58.80 1.78 1.5705 5 2 0 58.85 1.35 1.5692 -5 2 4 59.18 2.40 1.5613 -3 3 5 59.19 1.81 1.5609 -3 0 13 59.29 2.01 1.5585 1 0 13 59.32 2.77 1.5579 5 1 5 59.50 2.00 1.5536 -5 1 9 59.67 1.64 1.5496 5 2 1 59.68 2.88 1.5493 3 3 3 59.75 1.43 1.5478 -5 2 5 59.75 2.32 1.5476 -4 0 12 60.13 1.25 1.5389 -6 0 6 60.56 1.18 1.5290 2 2 10 61.51 1.30 1.5076 2 1 12 61.63 2.54 1.5050 -3 1 13 61.97 1.96 1.4974 0 2 12 62.45 2.92 1.4871 5 0 7 62.67 2.03 1.4823 -5 0 11 62.93 1.12 1.4768 -4 3 3 63.08 8.38 1.4737 0 3 9 63.10 1.89 1.4735 3 1 11 64.44 1.17 1.4460 -5 2 8 64.69 1.73 1.4410 -3 3 8 65.52 1.21 1.4246 3 3 6 65.99 5.80 1.4156 0 4 1 66.18 1.33 1.4120 3 2 10 66.20 5.78 1.4116 0 2 13 66.28 2.32 1.4101 0 3 10 67.13 1.80 1.3944 -3 3 9 67.32 1.90 1.3909 0 4 3 67.33 2.20 1.3907 -6 2 2 67.59 1.45 1.3861 1 4 2 67.61 2.37 1.3856 -6 2 1 68.07 1.58 1.3774 3 3 7 68.78 1.46 1.3649 -1 4 4 69.43 1.76 1.3537 -7 0 5 69.55 1.53 1.3517 3 0 13 69.85 1.20 1.3466 -3 3 10 70.05 1.38 1.3433 -6 1 10 70.18 1.48 1.3410 -3 1 15 70.89 2.32 1.3294 3 3 8 71.31 1.07 1.3226 5 3 1 71.34 2.45 1.3221 0 0 16 71.35 1.75 1.3219 5 1 9 71.61 1.12 1.3178 -5 1 13 71.79 1.45 1.3149 3 1 13 72.34 1.36 1.3063 4 0 12 72.42 2.87 1.3050 5 3 2 72.51 3.38 1.3036 -5 3 6 73.08 1.27 1.2948 -3 4 2 73.26 1.37 1.2920 1 4 6 73.74 1.39 1.2848 -7 1 7 75.24 1.42 1.2629 0 2 15 76.11 1.25 1.2507 -3 3 12 76.64 1.50 1.2433 -3 4 6 76.73 1.29 1.2421 5 0 11 77.02 1.86 1.2381 -5 0 15 77.20 1.19 1.2357 3 4 4 77.38 1.54 1.2332 -3 0 17 77.79 1.06 1.2278 6 1 8 78.66 1.02 1.2164 -4 4 3 78.66 1.99 1.2164 2 4 7 79.72 2.96 1.2028 -2 4 9 80.62 1.36 1.1917 -1 3 14 81.57 1.10 1.1802 1 1 17 81.99 2.02 1.1752 0 0 18 82.44 1.19 1.1699 -8 1 4 84.07 1.77 1.1513 2 4 9 84.25 1.33 1.1493 8 0 2 86.94 1.19 1.1206 0 5 3 87.39 2.55 1.1159 -8 0 10 87.72 1.00 1.1126 -3 0 19 88.00 1.82 1.1098 8 0 4 89.60 1.05 1.0941 4 4 7 89.68 1.44 1.0933 3 0 17 89.74 1.07 1.0928 -7 3 6 89.84 1.35 1.0917 -6 3 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.