Gustavite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110011 Pazout R, Dusek M Acta Crystallographica C65 (2009) i77-i80 Natural monoclinic AgPb(Bi2Sb)S6, an Sb-rich gustavite, Locality: Kutna Hora polymetallic deposit, Czech Republic _database_code_amcsd 0017602 CELL PARAMETERS: 7.0500 19.5880 8.2610 90.000 107.050 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ag 0.85710 0.36619 0.21410 1.000 3.893 Pb 0.36678 0.24985 0.34306 1.000 2.763 Bi 0.82041 0.13967 0.20339 0.909 1.879 Bi 0.26197 0.45056 0.06313 0.739 1.911 Sb 0.26197 0.45056 0.06313 0.261 1.911 Sb 0.27930 0.05451 0.07319 0.650 1.729 Bi 0.27930 0.05451 0.07319 0.350 1.729 S 0.65120 0.25990 0.16420 1.000 1.974 S 0.09240 0.33310 0.00840 1.000 2.053 S 0.50160 0.40150 0.39480 1.000 2.290 S 0.08380 0.16580 0.02930 1.000 1.974 S 0.50890 0.09690 0.35820 1.000 2.132 S 0.98710 0.49150 0.22280 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 17 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 99.62271119 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.89 4.19 6.3734 1 1 0 14.41 4.74 6.1480 0 2 1 15.25 3.41 5.8091 -1 1 1 15.96 5.23 5.5524 1 2 0 17.16 1.02 5.1672 -1 2 1 17.62 2.35 5.0323 0 3 1 22.44 21.49 3.9618 1 4 0 22.51 1.87 3.9496 -1 0 2 22.52 1.50 3.9490 0 0 2 23.96 1.91 3.7135 1 3 1 24.30 18.14 3.6629 -1 2 2 24.30 17.08 3.6625 0 2 2 26.31 100.00 3.3870 1 5 0 26.37 31.14 3.3794 -1 3 2 26.38 33.04 3.3790 0 3 2 26.45 15.25 3.3701 2 0 0 26.84 23.72 3.3213 2 1 0 27.32 3.40 3.2647 0 6 0 28.00 5.08 3.1867 2 2 0 29.00 1.34 3.0787 -2 3 1 29.05 3.51 3.0743 -1 4 2 29.05 3.56 3.0740 0 4 2 29.61 1.20 3.0171 0 6 1 29.73 29.11 3.0053 -2 1 2 29.74 29.78 3.0045 1 1 2 30.42 22.68 2.9382 1 6 0 30.78 38.00 2.9045 -2 2 2 30.79 37.76 2.9038 1 2 2 32.48 13.03 2.7569 -2 3 2 32.48 12.49 2.7563 1 3 2 33.10 1.87 2.7063 2 2 1 34.71 5.02 2.5844 1 7 0 34.72 1.14 2.5836 -2 4 2 36.70 1.54 2.4485 0 8 0 37.82 1.15 2.3785 1 7 1 39.43 1.25 2.2850 -3 2 1 39.47 10.74 2.2833 -1 7 2 39.47 10.98 2.2832 0 7 2 41.97 2.64 2.1529 2 7 0 42.36 5.50 2.1340 -3 3 2 42.37 5.31 2.1335 2 3 2 42.55 7.98 2.1245 3 3 0 43.49 15.79 2.0810 -1 8 2 43.49 15.08 2.0810 0 8 2 43.84 25.73 2.0652 -1 0 4 44.17 12.60 2.0505 -3 4 2 44.18 12.85 2.0501 2 4 2 44.36 15.43 2.0421 3 4 0 45.81 1.22 1.9809 2 8 0 46.35 10.65 1.9588 0 10 0 46.42 6.99 1.9563 -3 5 2 46.43 6.73 1.9559 2 5 2 46.60 3.01 1.9490 3 5 0 47.68 6.30 1.9072 -2 8 2 47.69 6.40 1.9070 1 8 2 49.05 3.93 1.8571 -3 6 2 49.06 4.16 1.8567 2 6 2 49.23 2.88 1.8508 3 6 0 49.79 2.18 1.8315 -2 4 4 49.79 2.11 1.8312 0 4 4 49.88 6.00 1.8283 2 9 0 51.64 3.28 1.7699 -2 9 2 51.65 3.60 1.7698 1 9 2 51.85 12.74 1.7634 -2 5 4 51.85 12.45 1.7632 0 5 4 51.92 2.34 1.7611 -3 0 4 51.93 2.23 1.7607 1 0 4 52.04 1.70 1.7572 -3 7 2 52.05 1.46 1.7570 2 7 2 52.15 3.07 1.7540 -3 1 4 52.16 3.04 1.7536 1 1 4 52.21 2.25 1.7519 3 7 0 52.42 3.77 1.7456 -4 0 2 52.43 3.83 1.7452 3 0 2 52.64 1.36 1.7387 -4 1 2 52.65 1.32 1.7383 3 1 2 53.20 1.91 1.7217 1 11 0 54.16 6.98 1.6935 2 10 0 54.29 2.82 1.6897 -2 6 4 54.30 2.99 1.6895 0 6 4 54.67 2.08 1.6788 4 1 0 55.32 6.45 1.6606 4 2 0 56.39 1.17 1.6316 4 3 0 62.74 1.95 1.4810 -4 3 4 62.75 1.96 1.4807 2 3 4 63.30 1.78 1.4691 2 12 0 64.12 3.84 1.4523 -4 4 4 64.14 3.53 1.4519 2 4 4 64.82 2.29 1.4383 -2 12 2 64.83 2.27 1.4382 1 12 2 65.70 6.08 1.4212 -1 10 4 66.41 3.50 1.4078 -1 13 2 66.41 3.57 1.4078 0 13 2 67.47 2.71 1.3881 4 8 0 68.54 1.72 1.3691 -3 9 4 68.55 1.70 1.3689 1 9 4 68.96 1.35 1.3617 -4 9 2 68.97 1.36 1.3615 3 9 2 70.21 1.30 1.3406 -2 3 6 70.21 1.52 1.3405 -1 3 6 71.15 3.92 1.3252 -5 5 2 71.16 3.88 1.3250 4 5 2 71.46 1.75 1.3202 5 3 0 71.87 1.21 1.3136 -3 1 6 71.89 1.30 1.3134 0 1 6 72.12 2.34 1.3096 -3 10 4 72.13 2.23 1.3094 1 10 4 72.43 1.86 1.3048 -3 2 6 72.45 1.83 1.3046 0 2 6 72.54 2.23 1.3032 -4 10 2 72.55 2.18 1.3030 3 10 2 73.11 2.21 1.2943 -5 2 4 73.14 2.03 1.2940 3 2 4 73.93 2.39 1.2820 1 15 0 76.06 1.16 1.2514 3 13 0 80.32 1.56 1.1954 -2 8 6 80.32 1.36 1.1954 -1 8 6 80.79 1.18 1.1896 -4 4 6 80.81 1.26 1.1893 1 4 6 82.01 1.92 1.1750 -6 0 2 82.03 1.86 1.1748 5 0 2 83.99 1.21 1.1522 -5 8 4 84.02 1.16 1.1519 3 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.