Matlockite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140538 Nieuwenkamp W, Bijvoet J Zeitschrift fur Kristallographie 81 (1932) 469-473 Die Kristallstruktur von Bleifluochlorid Pb F Cl _cod_database_code 1011046 _database_code_amcsd 0017948 CELL PARAMETERS: 4.0870 4.0870 7.2020 90.000 90.000 90.000 SPACE GROUP: P4/nmm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.50000 0.20500 1.000 1.500 Cl 0.00000 0.50000 0.65000 1.000 1.000 F 0.50000 0.50000 0.00000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 298.3879941 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.29 14.40 7.2020 0 0 1 24.72 25.24 3.6010 0 0 2 25.05 100.00 3.5545 1 0 1 30.94 51.43 2.8899 1 1 0 33.16 36.35 2.7019 1 0 2 37.46 3.04 2.4007 0 0 3 40.00 41.75 2.2539 1 1 2 43.73 16.39 2.0700 1 0 3 44.33 24.54 2.0435 2 0 0 46.18 2.01 1.9659 2 0 1 49.35 10.19 1.8466 1 1 3 51.41 12.42 1.7773 2 0 2 51.59 25.86 1.7716 2 1 1 55.79 14.46 1.6477 1 0 4 56.46 13.20 1.6298 2 1 2 59.40 3.07 1.5561 2 0 3 64.03 9.03 1.4542 2 1 3 64.49 6.70 1.4450 2 2 0 64.72 2.45 1.4404 0 0 5 70.18 4.31 1.3410 2 2 2 70.33 4.42 1.3386 3 0 1 73.24 6.55 1.2924 3 1 0 73.45 4.58 1.2891 1 1 5 73.89 10.78 1.2827 2 1 4 74.46 2.50 1.2742 3 0 2 77.03 1.28 1.2380 2 2 3 78.65 8.19 1.2164 3 1 2 81.18 2.00 1.1848 3 0 3 81.81 4.33 1.1773 2 0 5 84.04 2.85 1.1517 1 0 6 85.29 3.00 1.1380 3 1 3 87.02 4.39 1.1197 3 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.