Laurionite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130788 Venetopoulos C C, Rentzeperis P J Zeitschrift fur Kristallographie 141 (1975) 246-259 The crystal structure of laurionite, Pb(OH)Cl _database_code_amcsd 0010776 CELL PARAMETERS: 9.6730 4.0130 7.0990 90.000 90.000 90.000 SPACE GROUP: Pcmn ATOM X Y Z OCCUPANCY ISO(B) Pb 0.08770 0.25000 0.79736 1.000 1.320 O 0.04220 0.25000 0.12230 1.000 1.160 H 0.11000 0.25000 0.22300 1.000 3.000 Cl 0.82020 0.25000 0.55640 1.000 1.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 3 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 172.7841593 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.48 17.80 5.7231 1 0 1 18.34 18.07 4.8365 2 0 0 22.24 78.94 3.9970 2 0 1 24.01 16.52 3.7067 1 1 0 25.09 24.19 3.5495 0 0 2 26.75 12.26 3.3322 1 0 2 27.14 100.00 3.2857 1 1 1 30.45 2.04 2.9357 3 0 1 31.26 12.04 2.8616 2 0 2 31.59 19.85 2.8320 2 1 1 33.71 6.03 2.6587 0 1 2 35.00 25.87 2.5636 1 1 2 35.72 47.96 2.5135 3 1 0 37.18 6.14 2.4183 4 0 0 37.69 7.54 2.3866 3 0 2 37.98 1.96 2.3694 3 1 1 38.64 4.08 2.3299 2 1 2 39.19 17.03 2.2986 1 0 3 39.36 18.03 2.2891 4 0 1 42.53 11.42 2.1256 2 0 3 44.15 26.70 2.0513 3 1 2 45.19 15.10 2.0065 0 2 0 45.38 4.29 1.9985 4 0 2 45.48 10.50 1.9945 1 1 3 48.05 1.79 1.8935 1 2 1 48.46 13.68 1.8783 2 1 3 48.79 2.23 1.8665 5 0 1 49.16 2.54 1.8533 2 2 0 50.92 16.30 1.7932 2 2 1 51.05 3.14 1.7889 4 1 2 52.38 6.11 1.7467 0 2 2 52.42 1.44 1.7456 1 0 4 52.51 3.47 1.7427 5 1 0 53.29 3.10 1.7189 1 2 2 54.20 15.66 1.6924 5 1 1 54.23 1.85 1.6913 4 0 3 55.97 3.91 1.6429 2 2 2 56.71 10.96 1.6231 0 1 4 57.13 3.30 1.6122 6 0 0 59.29 8.76 1.5585 4 1 3 59.45 7.37 1.5548 3 0 4 59.90 2.72 1.5442 4 2 0 60.13 1.62 1.5388 2 1 4 60.26 3.60 1.5358 3 2 2 61.33 7.75 1.5116 1 2 3 61.45 8.68 1.5089 4 2 1 61.96 2.92 1.4978 5 0 3 63.36 5.39 1.4679 6 0 2 63.79 5.82 1.4591 2 2 3 64.25 1.35 1.4498 3 1 4 65.97 2.45 1.4160 4 2 2 66.57 3.59 1.4047 1 0 5 66.65 4.87 1.4032 5 1 3 68.01 4.06 1.3785 6 1 2 68.68 1.37 1.3666 5 2 1 69.78 3.01 1.3477 4 1 4 71.66 1.02 1.3170 1 2 4 72.32 2.30 1.3066 7 1 0 72.58 5.06 1.3026 1 3 1 73.19 1.31 1.2932 4 2 3 73.40 5.48 1.2900 2 1 5 73.73 3.85 1.2850 7 1 1 74.85 1.11 1.2685 2 3 1 75.67 2.53 1.2568 6 2 0 76.78 1.92 1.2414 1 3 2 77.21 3.75 1.2356 3 3 0 77.70 5.91 1.2290 3 2 4 77.91 1.17 1.2261 7 1 2 79.93 2.48 1.2002 5 2 3 80.49 1.03 1.1933 7 0 3 80.60 2.63 1.1920 8 0 1 81.19 4.68 1.1847 6 2 2 82.06 1.11 1.1744 1 0 6 82.34 3.38 1.1711 4 1 5 82.70 3.33 1.1669 3 3 2 83.64 1.35 1.1561 1 3 3 84.12 3.38 1.1508 1 2 5 84.68 2.02 1.1446 5 0 5 84.75 2.99 1.1438 6 1 4 84.75 1.11 1.1438 7 1 3 85.58 1.92 1.1349 0 1 6 85.83 2.03 1.1321 2 3 3 87.90 2.11 1.1107 3 0 6 88.49 1.40 1.1049 2 1 6 89.99 1.19 1.0903 7 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.