Pb2[B5O9]Br Yakubovich O V, Mochenova N N, Dimitrova O V, Massa W Acta Crystallographica E60 (2004) i127-i130 Reinvestigation of the Pb2[B5O9]Br structure based on single-crystal data _database_code_amcsd 0010437 CELL PARAMETERS: 11.4935 11.4717 6.5297 90.000 90.000 90.000 SPACE GROUP: Pnn2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 860.941 Density (g/cm3): 5.341 MAX. ABS. INTENSITY / VOLUME**2: 54.33888566 RIR: 3.313 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.42 1.45 5.7467 2 0 0 2 15.45 2.07 5.7358 0 2 0 2 15.61 100.00 5.6774 1 0 1 2 15.62 96.28 5.6748 0 1 1 2 17.26 5.28 5.1381 2 1 0 4 17.28 12.65 5.1322 1 2 0 4 17.43 7.36 5.0884 1 1 1 4 21.89 91.21 4.0597 2 2 0 4 22.01 27.24 4.0379 2 1 1 4 22.03 30.81 4.0350 1 2 1 4 24.50 1.97 3.6339 3 1 0 4 24.53 1.09 3.6284 1 3 0 4 25.84 1.81 3.4477 2 2 1 4 26.98 33.60 3.3044 3 0 1 2 27.02 39.60 3.2997 0 3 1 2 27.32 13.89 3.2648 0 0 2 1 28.01 2.63 3.1859 3 2 0 4 28.03 2.11 3.1835 2 3 0 4 28.10 19.31 3.1753 3 1 1 4 28.14 31.65 3.1716 1 3 1 4 29.49 4.62 3.0291 1 1 2 4 31.13 57.35 2.8734 4 0 0 2 31.19 44.30 2.8679 0 4 0 2 31.24 22.54 2.8632 3 2 1 4 31.26 7.27 2.8616 2 3 1 4 31.52 51.59 2.8387 2 0 2 2 31.53 48.37 2.8374 0 2 2 2 32.11 4.85 2.7873 4 1 0 4 32.17 11.28 2.7826 1 4 0 4 32.49 6.42 2.7556 2 1 2 4 32.50 13.30 2.7547 1 2 2 4 34.92 4.19 2.5690 4 2 0 4 34.97 8.78 2.5661 2 4 0 4 35.00 31.97 2.5635 4 1 1 4 35.05 27.31 2.5599 1 4 1 4 35.28 20.71 2.5442 2 2 2 4 35.92 11.56 2.5002 3 3 1 4 37.02 2.29 2.4286 3 1 2 4 37.04 9.40 2.4270 1 3 2 4 39.22 1.86 2.2971 4 3 0 4 39.24 10.55 2.2959 3 4 0 4 39.52 6.33 2.2802 3 2 2 4 39.54 1.40 2.2793 2 3 2 4 41.65 8.60 2.1683 5 0 1 2 41.68 15.55 2.1669 4 3 1 4 41.70 15.50 2.1659 3 4 1 4 41.88 9.02 2.1570 4 0 2 2 41.93 3.38 2.1547 0 4 2 2 42.26 12.06 2.1386 1 0 3 2 42.26 7.38 2.1384 0 1 3 2 42.36 3.22 2.1337 5 2 0 4 42.43 6.91 2.1305 5 1 1 4 42.50 17.56 2.1272 1 5 1 4 42.65 6.28 2.1198 4 1 2 4 42.69 15.05 2.1178 1 4 2 4 43.02 1.57 2.1023 1 1 3 4 43.43 5.95 2.0836 3 3 2 4 44.64 15.05 2.0299 4 4 0 4 44.68 4.12 2.0282 5 2 1 4 44.74 4.61 2.0257 2 5 1 4 44.90 30.33 2.0189 4 2 2 4 44.93 21.28 2.0175 2 4 2 4 45.25 17.18 2.0042 2 1 3 4 45.25 11.14 2.0038 1 2 3 4 46.11 1.47 1.9684 3 5 0 4 46.87 1.54 1.9384 4 4 1 4 47.56 1.66 1.9119 0 6 0 2 48.08 6.90 1.8925 3 0 3 2 48.16 3.71 1.8894 6 1 0 4 48.25 16.78 1.8861 5 3 1 4 48.25 4.05 1.8860 1 6 0 4 48.29 19.19 1.8846 3 5 1 4 48.45 7.47 1.8787 4 3 2 4 48.47 10.88 1.8780 3 4 2 4 48.79 2.82 1.8665 1 3 3 4 49.12 1.41 1.8548 5 1 2 4 50.21 3.74 1.8169 6 2 0 4 50.27 3.48 1.8150 6 1 1 4 50.36 3.12 1.8120 1 6 1 4 50.80 2.75 1.7972 3 2 3 4 50.82 11.53 1.7968 2 3 3 4 50.91 1.30 1.7937 5 4 0 4 50.93 2.24 1.7929 4 5 0 4 51.14 2.39 1.7861 5 2 2 4 51.19 1.25 1.7844 2 5 2 4 52.26 1.02 1.7504 6 2 1 4 52.94 7.16 1.7296 5 4 1 4 52.96 1.52 1.7289 4 5 1 4 53.13 3.49 1.7238 4 4 2 4 53.41 5.98 1.7155 4 1 3 4 53.45 10.07 1.7144 1 4 3 4 53.50 3.67 1.7127 6 3 0 4 53.57 1.33 1.7107 3 6 0 4 54.07 7.16 1.6961 3 3 3 4 54.39 1.90 1.6868 5 3 2 4 55.53 2.39 1.6549 3 6 1 4 55.63 5.44 1.6522 6 0 2 2 55.71 2.27 1.6499 0 6 2 2 56.25 4.78 1.6353 6 1 2 4 56.34 5.76 1.6331 1 6 2 4 56.36 1.94 1.6324 0 0 4 1 57.91 1.35 1.5924 7 0 1 2 58.03 1.41 1.5895 0 7 1 2 58.10 3.21 1.5876 6 2 2 4 58.17 3.98 1.5858 2 6 2 4 58.43 5.21 1.5796 3 4 3 4 58.52 4.75 1.5772 7 1 1 4 58.58 3.24 1.5759 5 5 1 4 58.63 5.73 1.5745 1 7 1 4 58.73 5.71 1.5720 5 4 2 4 58.75 1.26 1.5715 4 5 2 4 58.80 11.31 1.5703 2 0 4 2 58.81 3.93 1.5701 0 2 4 2 58.99 5.04 1.5657 5 1 3 4 59.05 5.40 1.5644 1 5 3 4 59.41 1.01 1.5558 2 1 4 4 59.41 1.95 1.5556 1 2 4 4 60.32 1.93 1.5343 7 2 1 4 60.43 5.68 1.5320 2 7 1 4 60.79 2.12 1.5237 5 2 3 4 61.10 1.43 1.5167 6 3 2 4 61.16 4.70 1.5153 3 6 2 4 61.19 3.34 1.5146 2 2 4 4 61.55 1.11 1.5068 3 7 0 4 63.26 3.08 1.4700 7 3 1 4 63.26 3.82 1.4699 5 6 0 4 63.35 3.73 1.4682 3 7 1 4 63.75 1.21 1.4599 3 5 3 4 64.09 3.38 1.4529 1 7 2 4 64.10 1.55 1.4528 3 2 4 4 64.90 2.27 1.4367 8 0 0 2 65.16 2.26 1.4316 6 4 2 4 65.21 2.00 1.4308 4 6 2 4 65.41 4.04 1.4268 6 1 3 4 65.47 2.61 1.4256 8 1 0 4 65.48 1.89 1.4254 1 6 3 4 65.51 2.60 1.4249 7 4 0 4 65.70 1.41 1.4211 7 2 2 4 65.80 1.53 1.4194 4 0 4 2 65.83 2.41 1.4187 0 4 4 2 66.39 2.63 1.4080 1 4 4 4 67.17 1.68 1.3936 8 2 0 4 67.22 4.31 1.3927 8 1 1 4 67.25 1.03 1.3922 7 4 1 4 67.30 4.88 1.3913 2 8 0 4 67.35 2.64 1.3903 1 8 1 4 67.69 1.49 1.3842 5 4 3 4 68.05 3.70 1.3778 4 2 4 4 68.07 7.57 1.3774 2 4 4 4 68.51 1.02 1.3696 7 3 2 4 68.60 2.46 1.3681 3 7 2 4 69.89 3.22 1.3460 6 3 3 4 69.94 1.09 1.3450 3 6 3 4 69.95 1.01 1.3449 8 3 0 4 70.06 1.57 1.3430 3 8 0 4 70.20 2.47 1.3407 6 5 2 4 70.22 2.09 1.3404 5 6 2 4 70.81 1.04 1.3307 4 3 4 4 70.82 1.77 1.3304 3 4 4 4 71.15 1.18 1.3251 6 6 1 4 71.64 1.84 1.3172 8 3 1 4 71.75 1.62 1.3154 3 8 1 4 71.78 1.12 1.3150 8 0 2 2 71.91 1.47 1.3129 0 8 2 2 72.15 2.03 1.3092 0 7 3 2 72.22 6.44 1.3082 7 5 1 4 72.27 4.87 1.3074 5 7 1 4 72.33 1.55 1.3064 8 1 2 4 72.36 1.53 1.3060 7 4 2 4 72.43 1.16 1.3049 4 7 2 4 72.46 2.01 1.3044 1 8 2 4 72.59 1.59 1.3023 7 1 3 4 72.64 6.92 1.3016 5 5 3 4 72.69 1.73 1.3008 1 7 3 4 72.90 1.50 1.2976 1 0 5 2 73.76 1.11 1.2845 8 4 0 4 73.95 2.70 1.2817 8 2 2 4 74.07 1.06 1.2799 2 8 2 4 74.61 2.15 1.2721 4 4 4 4 75.05 2.75 1.2657 2 1 5 4 75.05 1.24 1.2656 1 2 5 4 75.42 1.22 1.2604 8 4 1 4 76.08 1.90 1.2510 0 9 1 2 76.45 2.28 1.2459 9 1 1 4 76.50 1.18 1.2453 6 7 0 4 76.61 1.14 1.2437 1 9 1 4 76.62 2.56 1.2435 8 3 2 4 76.70 3.92 1.2425 6 0 4 2 76.74 1.61 1.2420 3 8 2 4 76.88 6.00 1.2400 7 3 3 4 76.97 3.59 1.2389 3 7 3 4 77.17 1.51 1.2361 3 0 5 2 77.19 1.02 1.2359 0 3 5 2 77.23 1.75 1.2352 6 1 4 4 77.23 1.13 1.2352 5 7 2 4 77.30 2.84 1.2343 1 6 4 4 77.70 1.47 1.2290 3 1 5 4 77.72 1.91 1.2288 1 3 5 4 78.13 1.38 1.2232 6 7 1 4 78.20 1.84 1.2224 2 9 1 4 78.56 1.84 1.2177 8 5 0 4 78.82 1.05 1.2143 6 2 4 4 79.28 1.34 1.2084 3 2 5 4 79.29 1.20 1.2082 2 3 5 4 79.37 2.21 1.2073 5 4 4 4 80.26 1.26 1.1961 5 8 1 4 80.42 1.68 1.1942 4 8 2 4 80.64 2.03 1.1914 4 7 3 4 80.67 1.62 1.1910 1 8 3 4 80.68 3.58 1.1910 9 3 1 4 80.82 1.46 1.1892 3 9 1 4 81.37 1.03 1.1826 4 1 5 4 81.40 2.00 1.1822 1 4 5 4 81.50 2.69 1.1810 3 6 4 4 82.97 2.82 1.1638 7 6 2 4 84.38 1.33 1.1480 6 8 0 4 84.46 1.65 1.1470 4 9 1 4 84.91 1.27 1.1420 7 7 1 4 85.09 2.61 1.1401 6 4 4 4 85.10 1.95 1.1401 5 8 2 4 85.54 1.14 1.1353 4 3 5 4 85.55 1.59 1.1352 3 4 5 4 86.09 1.31 1.1295 1 5 5 4 89.00 1.22 1.0999 9 5 1 4 89.13 1.75 1.0986 9 4 2 4 89.36 2.46 1.0964 9 1 3 4 89.51 1.07 1.0949 1 9 3 4 89.76 1.27 1.0926 6 5 4 4 89.78 1.31 1.0923 5 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.