PbBr2 Wyckoff R W G Crystal Structures 1 (1963) 298-306 Second edition. Interscience Publishers, New York, New York _database_code_amcsd 0011875 CELL PARAMETERS: 9.4660 8.0680 4.7670 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 364.064 Density (g/cm3): 6.695 MAX. ABS. INTENSITY / VOLUME**2: 94.79951426 RIR: 4.611 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.75 26.85 4.7330 2 0 0 2 20.86 18.18 4.2576 1 0 1 4 21.77 52.37 4.0824 2 1 0 4 22.03 31.24 4.0340 0 2 0 2 23.63 83.76 3.7655 1 1 1 8 23.98 3.84 3.7111 1 2 0 4 28.79 31.61 3.1007 2 1 1 8 29.00 34.77 3.0794 0 2 1 4 29.09 36.51 3.0702 2 2 0 4 30.42 14.52 2.9386 3 1 0 4 30.53 100.00 2.9283 1 2 1 8 34.07 93.40 2.6312 3 0 1 4 34.68 3.17 2.5870 1 3 0 4 34.76 7.24 2.5812 2 2 1 8 35.90 3.13 2.5015 3 1 1 8 36.14 13.23 2.4854 3 2 0 4 37.74 56.82 2.3835 0 0 2 2 38.02 11.56 2.3665 4 0 0 2 38.50 41.62 2.3382 2 3 0 4 39.64 51.19 2.2737 1 3 1 8 39.69 9.06 2.2708 4 1 0 4 40.95 57.36 2.2038 3 2 1 8 42.46 6.08 2.1288 2 0 2 4 43.09 3.96 2.0993 2 3 1 8 43.99 15.71 2.0584 2 1 2 8 44.13 9.55 2.0521 0 2 2 4 44.18 1.49 2.0501 4 1 1 8 44.25 1.53 2.0468 3 3 0 4 44.38 3.64 2.0412 4 2 0 4 44.94 8.38 2.0170 0 4 0 2 45.21 1.27 2.0055 1 2 2 8 46.01 3.41 1.9727 1 4 0 4 48.34 16.17 1.8827 2 2 2 8 48.52 1.61 1.8764 4 2 1 8 49.04 1.59 1.8576 0 4 1 4 49.22 6.70 1.8511 3 1 2 8 49.45 1.35 1.8431 5 1 0 4 51.43 9.25 1.7766 4 3 0 4 51.97 13.96 1.7595 5 0 1 4 52.18 1.72 1.7529 1 3 2 8 52.95 3.22 1.7292 2 4 1 8 53.25 7.78 1.7203 3 2 2 8 53.29 11.43 1.7191 5 1 1 8 53.46 2.61 1.7138 5 2 0 4 53.95 2.78 1.6995 3 4 0 4 54.65 7.27 1.6793 4 0 2 4 55.01 26.57 1.6692 2 3 2 8 55.17 4.38 1.6647 4 3 1 8 55.93 6.02 1.6441 4 1 2 8 57.58 6.11 1.6008 3 4 1 8 57.98 3.78 1.5907 1 5 0 4 58.50 3.75 1.5777 6 0 0 2 59.53 1.14 1.5528 3 3 2 8 59.64 2.71 1.5504 4 2 2 8 60.09 6.33 1.5397 0 4 2 4 60.15 5.37 1.5383 1 1 3 8 60.29 2.90 1.5351 4 4 0 4 60.63 5.86 1.5273 2 5 0 4 60.97 2.65 1.5197 1 4 2 8 61.45 21.31 1.5089 1 5 1 8 62.75 2.75 1.4808 2 1 3 8 62.86 3.10 1.4784 0 2 3 4 63.15 15.16 1.4724 5 3 1 8 63.29 13.08 1.4693 6 2 0 4 63.71 9.86 1.4607 1 2 3 8 63.84 1.14 1.4580 5 1 2 8 65.53 8.00 1.4244 4 3 2 8 65.80 11.20 1.4192 3 0 3 4 66.60 2.03 1.4041 6 2 1 8 67.29 2.38 1.3915 5 2 2 8 67.71 2.52 1.3837 3 4 2 8 69.41 7.91 1.3540 1 3 3 8 70.32 9.34 1.3388 3 2 3 8 70.66 7.64 1.3332 4 5 0 4 71.10 1.05 1.3259 5 4 1 8 71.28 3.69 1.3231 1 5 2 8 71.75 3.65 1.3156 6 0 2 4 72.68 3.84 1.3010 7 0 1 4 73.36 2.91 1.2906 4 4 2 8 73.67 5.92 1.2859 2 5 2 8 73.77 1.42 1.2844 7 1 1 8 73.80 4.72 1.2839 4 5 1 8 73.92 2.74 1.2822 1 6 1 8 76.10 13.85 1.2507 6 2 2 8 78.60 3.42 1.2171 5 0 3 4 79.67 2.79 1.2035 5 1 3 8 79.75 2.79 1.2025 6 4 1 8 80.16 2.09 1.1974 3 6 1 8 80.61 4.64 1.1918 0 0 4 2 80.82 4.52 1.1892 5 5 1 8 81.22 1.24 1.1844 4 3 3 8 81.31 1.30 1.1832 8 0 0 2 82.34 5.19 1.1711 7 3 1 8 82.37 1.92 1.1707 8 1 0 4 82.99 9.06 1.1635 4 5 2 8 83.24 1.67 1.1607 3 4 3 8 84.72 1.41 1.1441 1 7 0 4 84.73 1.67 1.1440 2 1 4 8 84.83 1.02 1.1429 0 2 4 4 86.59 6.86 1.1242 1 5 3 8 87.01 1.92 1.1198 2 7 0 4 87.88 2.21 1.1110 2 2 4 8 88.09 5.07 1.1088 5 3 3 8 88.53 1.10 1.1045 8 2 1 8 89.68 3.70 1.0933 7 4 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.