PuOCl Wyckoff R W G Crystal Structures 1 (1963) 294-296 Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure _database_code_amcsd 0011858 CELL PARAMETERS: 4.0120 4.0120 6.7920 90.000 90.000 90.000 SPACE GROUP: P4/nmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 109.325 Density (g/cm3): 8.974 MAX. ABS. INTENSITY / VOLUME**2: 404.0901067 RIR: 14.662 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.03 32.10 6.7920 0 0 1 2 25.79 100.00 3.4544 1 0 1 8 26.24 13.76 3.3960 0 0 2 2 31.54 57.21 2.8369 1 1 0 4 34.25 4.97 2.6177 1 1 1 8 34.60 64.21 2.5921 1 0 2 8 39.82 7.36 2.2640 0 0 3 2 41.48 23.84 2.1772 1 1 2 8 45.20 24.89 2.0060 2 0 0 4 46.03 3.25 1.9717 1 0 3 8 47.25 4.65 1.9238 2 0 1 8 51.65 17.92 1.7696 1 1 3 8 52.77 25.69 1.7347 2 1 1 16 53.02 7.26 1.7272 2 0 2 8 58.15 24.10 1.5864 2 1 2 16 59.08 14.75 1.5637 1 0 4 8 61.79 7.31 1.5014 2 0 3 8 63.89 1.47 1.4570 1 1 4 8 65.84 6.74 1.4185 2 2 0 4 66.49 1.82 1.4062 2 1 3 16 67.45 1.32 1.3885 2 2 1 8 69.15 1.63 1.3584 0 0 5 2 71.96 4.38 1.3121 3 0 1 8 72.17 2.55 1.3089 2 2 2 8 73.62 1.32 1.2867 1 0 5 8 74.84 7.16 1.2687 3 1 0 8 76.57 4.63 1.2443 3 0 2 8 77.38 11.58 1.2333 2 1 4 16 77.99 3.39 1.2252 1 1 5 8 79.79 3.09 1.2020 2 2 3 8 80.88 4.80 1.1885 3 1 2 16 86.53 3.13 1.1248 2 0 5 8 88.30 5.79 1.1068 3 1 3 16 89.18 4.48 1.0981 3 2 1 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.