Zinkenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070577 Portheine J C, Nowacki W Zeitschrift fur Kristallographie 141 (1975) 79-96 Refinement of the crystal structure of zinckenite, Pb6Sb14S27 Sample: Bolivar mine, Cerro Bonete, Bolivia CELL PARAMETERS: 22.0930 22.0930 4.3213 90.000 90.000 120.000 SPACE GROUP: P6_3 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.53650 0.24340 0.23800 1.000 3.240 Pb 0.00000 0.00000 0.36500 0.190 4.600 Pb 0.00000 0.00000 0.12500 0.180 1.800 Sb 0.19940 0.03990 0.77500 0.500 3.720 Pb 0.19940 0.03990 0.77500 0.380 3.720 Sb 0.40020 0.05510 0.76900 1.000 2.040 Sb 0.34840 0.24300 0.74400 1.000 2.930 Sb 0.51780 0.40900 0.76800 1.000 1.990 S 0.12700 0.11500 0.76000 0.750 1.000 S 0.31400 0.03100 0.32100 1.000 2.000 S 0.49800 0.08200 0.35600 1.000 1.300 S 0.27600 0.17200 0.34900 1.000 1.800 S 0.44300 0.32000 0.16500 1.000 1.800 S 0.43500 0.17900 0.82400 1.000 1.100 S 0.63500 0.23300 0.73500 1.000 1.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 17 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 100.0145048 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.00 5.12 11.0465 1 1 0 16.05 6.60 5.5233 2 2 0 16.71 2.23 5.3066 1 3 0 16.71 1.65 5.3066 3 1 0 18.55 1.49 4.7833 4 0 0 20.23 4.00 4.3894 3 2 0 22.58 19.32 3.9382 2 0 1 23.99 9.24 3.7095 2 1 1 24.89 18.18 3.5774 3 0 1 25.93 99.94 3.4364 5 1 0 26.60 30.69 3.3508 3 1 1 27.82 3.48 3.2065 4 0 1 28.37 3.50 3.1455 3 4 0 28.37 3.59 3.1455 4 3 0 29.00 13.00 3.0794 2 3 1 29.00 3.51 3.0794 3 2 1 29.15 3.05 3.0637 2 5 0 29.75 12.32 3.0026 1 4 1 29.75 9.75 3.0026 4 1 1 30.64 2.62 2.9178 6 1 0 31.93 30.64 2.8027 3 3 1 32.28 21.65 2.7731 2 4 1 32.28 1.35 2.7731 4 2 1 33.31 3.20 2.6896 1 5 1 34.97 1.61 2.5659 6 0 1 35.29 2.42 2.5431 3 4 1 37.18 1.87 2.4182 1 6 1 37.30 2.91 2.4105 3 6 0 38.99 5.01 2.3100 5 3 1 39.87 9.01 2.2611 2 6 1 40.27 1.73 2.2394 1 8 0 41.13 1.89 2.1947 6 4 0 41.30 3.59 2.1860 1 7 1 41.81 15.53 2.1607 0 0 2 41.97 1.82 2.1526 7 3 0 42.41 10.34 2.1311 4 5 1 42.41 10.31 2.1311 5 4 1 42.96 2.18 2.1052 3 6 1 43.34 4.01 2.0876 2 8 0 44.04 14.56 2.0560 2 7 1 45.06 1.19 2.0122 2 2 2 45.63 1.11 1.9882 1 8 1 45.63 5.42 1.9882 8 1 1 45.73 16.04 1.9840 4 7 0 46.15 1.39 1.9671 5 5 1 48.42 8.33 1.8797 8 2 1 49.85 24.24 1.8291 5 1 2 50.63 1.31 1.8031 7 4 1 51.30 1.17 1.7810 3 4 2 51.58 1.39 1.7719 3 8 1 51.58 1.45 1.7719 8 3 1 53.32 6.78 1.7182 10 2 0 54.01 1.22 1.6978 7 6 0 54.38 1.44 1.6872 7 5 1 54.83 1.82 1.6742 1 10 1 55.06 1.92 1.6678 8 4 1 55.38 1.83 1.6591 9 4 0 55.38 2.37 1.6591 1 11 0 60.73 1.14 1.5250 7 3 2 61.79 1.67 1.5013 2 8 2 62.67 1.49 1.4823 7 7 1 63.68 7.97 1.4614 4 7 2 64.54 1.64 1.4438 4 10 1 64.75 1.65 1.4397 1 12 1 65.98 1.61 1.4159 3 11 1 66.55 1.11 1.4050 3 0 3 67.19 2.35 1.3932 7 8 1 67.36 1.63 1.3901 3 1 3 68.40 1.04 1.3715 10 5 1 69.95 3.52 1.3448 10 2 2 69.99 1.36 1.3442 1 13 1 70.16 1.46 1.3414 3 3 3 71.73 1.24 1.3159 1 11 2 72.82 1.17 1.2988 9 8 0 73.13 1.05 1.2941 13 2 1 76.60 1.11 1.2439 13 3 1 77.90 1.05 1.2263 2 7 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.