Diaboleite Cooper M A, Hawthorne F C The Canadian Mineralogist 33 (1995) 1125-1129 Diaboleite, Pb2Cu(OH)4Cl2, a defect perovskite structure with stereoactive lone-pair behavior of Pb _database_code_amcsd 0005469 CELL PARAMETERS: 5.8800 5.8800 5.5000 90.000 90.000 90.000 SPACE GROUP: P4mm X-RAY WAVELENGTH: 1.541838 Cell Volume: 190.159 Density (g/cm3): 5.386 MAX. ABS. INTENSITY / VOLUME**2: 181.1978830 RIR: 10.954 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.07 6.06 5.8800 1 0 0 4 16.12 63.66 5.5000 0 0 1 1 21.37 30.33 4.1578 1 1 0 4 22.13 4.25 4.0167 1 0 1 4 26.88 100.00 3.3167 1 1 1 4 30.40 42.54 2.9400 2 0 0 4 32.56 3.94 2.7500 0 0 2 1 34.10 1.16 2.6296 2 1 0 8 34.59 38.44 2.5928 2 0 1 4 36.06 2.28 2.4910 1 0 2 4 37.93 1.38 2.3724 2 1 1 8 39.28 50.31 2.2937 1 1 2 4 43.53 24.59 2.0789 2 2 0 4 45.15 15.28 2.0084 2 0 2 4 46.71 16.26 1.9446 2 2 1 4 47.86 1.59 1.9006 2 1 2 8 48.99 7.42 1.8594 3 1 0 8 49.73 4.98 1.8333 0 0 3 1 51.91 29.73 1.7615 3 1 1 8 54.72 7.41 1.6775 1 1 3 4 55.40 4.04 1.6584 2 2 2 4 59.41 12.16 1.5557 2 0 3 4 60.06 25.19 1.5404 3 1 2 8 63.26 6.74 1.4700 4 0 0 4 65.75 5.32 1.4202 4 0 1 4 67.59 1.29 1.3859 3 3 0 4 68.20 6.89 1.3750 2 2 3 4 68.20 1.98 1.3750 0 0 4 1 70.01 5.47 1.3439 3 3 1 4 71.79 6.25 1.3148 4 2 0 8 72.39 5.95 1.3055 3 1 3 8 72.39 3.33 1.3055 1 1 4 4 72.98 1.81 1.2964 4 0 2 4 74.15 6.89 1.2788 4 2 1 8 76.48 3.88 1.2455 2 0 4 4 77.06 5.52 1.2376 3 3 2 4 81.07 4.40 1.1862 4 2 2 8 83.91 1.38 1.1532 5 1 0 8 84.47 3.50 1.1469 4 0 3 4 84.48 3.94 1.1468 2 2 4 4 86.17 5.76 1.1286 5 1 1 8 88.42 1.69 1.1056 3 3 3 4 88.42 3.76 1.1056 3 1 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.