LaOCl 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 0011849 CELL PARAMETERS: 4.1190 4.1190 6.8830 90.000 90.000 90.000 SPACE GROUP: P4/nmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 116.778 Density (g/cm3): 5.413 MAX. ABS. INTENSITY / VOLUME**2: 102.8872938 RIR: 6.189 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.86 37.10 6.8830 0 0 1 2 25.20 95.17 3.5345 1 0 1 8 25.89 12.67 3.4415 0 0 2 2 30.70 78.22 2.9126 1 1 0 4 33.41 1.51 2.6823 1 1 1 8 33.94 100.00 2.6410 1 0 2 8 39.27 5.79 2.2943 0 0 3 2 40.58 31.21 2.2232 1 1 2 8 43.97 38.50 2.0595 2 0 0 4 45.24 4.73 2.0044 1 0 3 8 46.00 5.09 1.9731 2 0 1 8 50.65 19.35 1.8023 1 1 3 8 51.35 23.94 1.7794 2 1 1 16 51.73 6.76 1.7672 2 0 2 8 56.68 36.60 1.6241 2 1 2 16 58.10 16.61 1.5878 1 0 4 8 60.40 5.91 1.5326 2 0 3 8 62.71 4.04 1.4815 1 1 4 8 63.93 10.11 1.4563 2 2 0 4 64.92 2.62 1.4364 2 1 3 16 65.52 1.37 1.4247 2 2 1 8 68.11 2.12 1.3766 0 0 5 2 69.86 4.00 1.3465 3 0 1 8 70.17 2.39 1.3412 2 2 2 8 71.44 1.10 1.3205 2 0 4 8 72.38 1.18 1.3056 1 0 5 8 72.58 9.37 1.3025 3 1 0 8 74.39 6.93 1.2753 3 0 2 8 75.62 12.95 1.2575 2 1 4 16 76.55 3.64 1.2446 1 1 5 8 77.66 2.48 1.2295 2 2 3 8 78.52 5.89 1.2182 3 1 2 16 84.45 1.27 1.1472 0 0 6 2 84.69 4.02 1.1445 2 0 5 8 85.78 5.84 1.1327 3 1 3 16 86.32 3.90 1.1270 3 2 1 16 88.71 1.19 1.1027 2 1 5 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.