Laurelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100011 Merlino S, Pasero M, Perchiazzi N, Kampf A R American Mineralogist 81 (1996) 1277-1281 Laurelite: Its crystal structure and relationship to alpha-PbF2 AMCSD#0001837 CELL PARAMETERS: 10.2654 10.2654 3.9792 90.000 90.000 120.000 SPACE GROUP: P-6 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.58450 0.69340 0.50000 0.955 1.295 Pb 0.57200 0.71000 0.00000 0.045 4.027 Pb 0.88550 0.59840 0.00000 0.955 1.279 Pb 0.85300 0.56800 0.50000 0.045 0.158 Pb 0.00000 0.00000 0.50000 0.955 2.298 Pb 0.00000 0.00000 0.00000 0.045 3.158 Cl 0.33333 0.66667 0.00000 1.000 1.737 Cl 0.66667 0.33333 0.50000 1.000 1.737 F 0.04800 0.62000 0.50000 1.000 1.421 F 0.60900 0.57000 0.00000 1.000 1.895 F 0.07900 0.86800 0.00000 1.000 3.079 F 0.83400 0.72900 0.50000 1.000 1.658 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 296.3129692 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.95 1.27 8.8901 1 0 0 17.28 3.14 5.1327 1 1 0 19.97 1.75 4.4450 2 0 0 22.34 1.18 3.9792 0 0 1 24.51 20.80 3.6320 1 0 1 26.53 96.65 3.3601 1 2 0 26.53 3.35 3.3601 2 1 0 28.38 43.74 3.1448 1 1 1 30.14 29.50 2.9648 2 0 1 30.16 8.28 2.9634 3 0 0 34.95 4.99 2.5673 1 2 1 34.95 19.07 2.5673 2 1 1 36.44 1.42 2.4657 3 1 0 37.85 7.18 2.3767 3 0 1 40.59 3.44 2.2225 4 0 0 41.89 1.91 2.1567 2 2 1 43.16 1.03 2.0959 1 3 1 43.16 21.66 2.0959 3 1 1 44.42 2.80 2.0395 3 2 0 45.59 13.67 1.9896 0 0 2 46.82 14.76 1.9404 4 0 1 46.83 22.80 1.9400 4 1 0 50.27 3.88 1.8150 3 2 1 50.27 18.09 1.8150 2 3 1 52.48 5.85 1.7438 1 4 1 53.53 25.52 1.7120 1 2 2 54.63 8.10 1.6801 2 4 0 54.63 2.43 1.6801 4 2 0 55.64 2.37 1.6518 3 0 2 57.74 2.12 1.5967 1 5 0 58.74 3.26 1.5718 3 3 1 62.67 1.61 1.4824 4 0 2 65.55 1.38 1.4242 3 2 2 65.58 1.17 1.4236 2 5 0 67.42 12.69 1.3890 4 1 2 67.45 4.27 1.3885 6 0 1 68.38 3.15 1.3719 4 3 1 70.22 4.62 1.3404 5 2 1 73.78 2.36 1.2842 1 1 3 73.82 5.76 1.2836 2 4 2 73.82 1.65 1.2836 4 2 2 73.85 3.96 1.2833 1 6 1 73.85 1.18 1.2833 6 1 1 73.85 1.35 1.2832 4 4 0 74.68 1.73 1.2710 2 0 3 74.75 2.00 1.2700 5 3 0 74.75 1.93 1.2700 7 0 0 76.50 1.64 1.2453 1 5 2 77.34 1.40 1.2338 2 1 3 79.16 4.17 1.2099 3 5 1 81.79 1.87 1.1775 7 1 0 82.60 2.32 1.1681 3 1 3 85.20 2.01 1.1390 4 0 3 87.79 2.84 1.1119 2 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.