Laurionite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140025 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: 9.7591 4.0437 7.1527 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: 168.0242790 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.36 17.76 5.7691 1 0 1 18.18 18.07 4.8795 2 0 0 22.05 78.96 4.0309 2 0 1 23.82 16.50 3.7357 1 1 0 24.90 24.15 3.5763 0 0 2 26.54 12.27 3.3580 1 0 2 26.93 100.00 3.3113 1 1 1 30.18 2.05 2.9612 3 0 1 31.00 12.08 2.8845 2 0 2 31.33 19.93 2.8548 2 1 1 33.45 6.03 2.6789 0 1 2 34.73 25.95 2.5834 1 1 2 35.41 48.20 2.5347 3 1 0 36.84 6.18 2.4398 4 0 0 37.37 7.57 2.4064 3 0 2 37.65 1.97 2.3891 3 1 1 38.33 4.10 2.3483 2 1 2 38.88 17.10 2.3161 1 0 3 39.01 18.14 2.3091 4 0 1 42.19 11.48 2.1422 2 0 3 43.78 26.86 2.0680 3 1 2 44.83 15.19 2.0219 0 2 0 44.98 4.33 2.0155 4 0 2 45.11 10.55 2.0098 1 1 3 47.66 1.80 1.9081 1 2 1 48.06 13.76 1.8930 2 1 3 48.34 2.25 1.8830 5 0 1 48.75 2.56 1.8679 2 2 0 50.50 16.41 1.8072 2 2 1 50.60 3.17 1.8038 4 1 2 51.95 6.15 1.7601 0 2 2 51.99 1.45 1.7589 1 0 4 52.03 3.51 1.7578 5 1 0 52.86 3.13 1.7321 1 2 2 53.70 15.83 1.7070 5 1 1 53.76 1.87 1.7052 4 0 3 55.50 3.94 1.6556 2 2 2 56.25 11.05 1.6354 0 1 4 56.58 3.34 1.6265 6 0 0 58.77 8.86 1.5712 4 1 3 58.94 7.44 1.5670 3 0 4 59.37 2.74 1.5568 4 2 0 59.63 1.63 1.5506 2 1 4 59.74 3.63 1.5480 3 2 2 60.81 7.82 1.5231 1 2 3 60.90 8.78 1.5212 4 2 1 61.39 2.96 1.5103 5 0 3 62.76 5.46 1.4806 6 0 2 63.24 5.88 1.4704 2 2 3 63.69 1.36 1.4612 3 1 4 65.38 2.48 1.4274 4 2 2 66.00 3.63 1.4154 1 0 5 66.03 4.93 1.4148 5 1 3 67.35 4.12 1.3903 6 1 2 68.04 1.38 1.3779 5 2 1 69.15 3.05 1.3585 4 1 4 71.03 1.03 1.3270 1 2 4 71.59 2.33 1.3180 7 1 0 71.94 5.11 1.3126 1 3 1 72.52 1.33 1.3035 4 2 3 72.75 5.53 1.2999 2 1 5 72.99 3.90 1.2962 7 1 1 74.18 1.12 1.2783 2 3 1 74.93 2.56 1.2673 6 2 0 76.09 1.94 1.2509 1 3 2 76.50 3.79 1.2452 3 3 0 76.99 5.97 1.2386 3 2 4 77.12 1.19 1.2367 7 1 2 79.16 2.51 1.2100 5 2 3 79.67 1.04 1.2035 7 0 3 79.75 2.67 1.2025 8 0 1 80.39 4.73 1.1945 6 2 2 81.31 1.11 1.1833 1 0 6 81.56 3.41 1.1803 4 1 5 81.92 3.36 1.1760 3 3 2 82.87 1.36 1.1650 1 3 3 83.34 3.40 1.1595 1 2 5 83.85 2.04 1.1538 5 0 5 83.88 1.12 1.1535 7 1 3 83.90 3.02 1.1533 6 1 4 84.78 1.93 1.1435 0 1 6 85.02 2.04 1.1408 2 3 3 87.06 2.13 1.1193 3 0 6 87.65 1.41 1.1133 2 1 6 89.04 1.20 1.0995 7 0 4 89.40 3.00 1.0960 5 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.