Br6 N3 P3 de Santis P, Giglio E, Ripamonti A Journal of Inorganic and Nuclear Chemistry 24 (1962) 469-474 The crystal structure of trimeric phosphonitrilic bromide. _cod_database_code 1008090 _database_code_amcsd 0016032 CELL PARAMETERS: 6.6300 13.3600 14.4300 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 1278.163 Density (g/cm3): 3.192 MAX. ABS. INTENSITY / VOLUME**2: 36.52684072 RIR: 3.726 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.02 1.13 9.8034 0 1 1 4 12.27 1.54 7.2150 0 0 2 2 14.70 7.94 6.0245 1 0 1 4 18.10 2.12 4.9017 0 2 2 4 18.17 10.67 4.8819 1 0 2 4 19.36 3.49 4.5853 1 1 2 8 19.62 2.01 4.5256 0 1 3 4 19.85 4.88 4.4738 1 2 1 8 20.88 100.00 4.2553 0 3 1 4 22.56 3.50 3.9415 1 2 2 8 22.84 15.04 3.8933 1 0 3 4 24.68 10.50 3.6075 0 0 4 2 24.86 15.86 3.5811 1 3 1 8 26.50 2.93 3.3637 1 2 3 8 26.69 5.53 3.3400 0 4 0 2 26.90 3.42 3.3150 2 0 0 2 27.29 19.90 3.2678 0 3 3 4 27.61 36.93 3.2308 2 0 1 4 28.16 44.96 3.1688 1 0 4 4 28.42 1.32 3.1403 2 1 1 8 28.96 1.41 3.0832 1 1 4 8 29.47 4.09 3.0310 0 4 2 4 30.09 5.90 2.9695 2 2 0 4 30.42 1.37 2.9385 2 1 2 8 30.50 9.65 2.9311 1 3 3 8 30.74 4.90 2.9085 2 2 1 8 31.24 3.29 2.8630 1 2 4 8 32.81 2.29 2.7295 2 0 3 4 33.71 41.41 2.6591 2 3 0 4 33.88 18.04 2.6462 1 0 5 4 34.75 28.13 2.5819 1 3 4 8 35.41 4.08 2.5350 1 4 3 8 35.53 1.52 2.5267 2 2 3 8 35.99 1.06 2.4951 2 3 2 8 37.45 1.54 2.4012 2 1 4 8 38.78 6.16 2.3222 2 4 1 8 39.19 1.99 2.2988 1 4 4 8 39.62 24.10 2.2749 1 3 5 8 39.87 1.51 2.2608 1 0 6 4 40.47 4.25 2.2292 1 1 6 8 40.51 7.98 2.2267 0 6 0 2 40.97 2.26 2.2031 1 5 3 8 41.33 3.87 2.1845 3 0 1 4 42.22 6.24 2.1405 2 3 4 8 43.32 2.97 2.0886 1 6 1 8 43.50 3.88 2.0803 2 5 0 4 43.64 5.80 2.0741 1 4 5 8 43.97 1.71 2.0591 2 5 1 8 44.35 4.46 2.0427 1 5 4 8 44.73 2.09 2.0259 1 6 2 8 44.97 5.12 2.0159 1 3 6 8 45.00 2.52 2.0147 3 2 2 8 47.01 1.75 1.9329 1 6 3 8 47.26 1.99 1.9232 3 2 3 8 47.63 1.31 1.9094 2 5 3 8 47.63 2.41 1.9091 3 3 2 8 48.02 1.52 1.8948 0 6 4 4 48.09 5.50 1.8921 0 7 1 4 48.29 11.12 1.8845 3 0 4 4 48.80 1.53 1.8660 3 1 4 8 49.73 7.42 1.8334 2 6 1 8 49.81 4.36 1.8307 3 3 3 8 50.07 6.32 1.8219 1 6 4 8 50.61 3.52 1.8038 0 0 8 2 50.71 2.65 1.8004 1 3 7 8 51.40 1.00 1.7776 1 7 2 8 52.13 4.17 1.7546 3 0 5 4 52.58 2.75 1.7405 1 0 8 4 52.75 6.62 1.7355 3 3 4 8 53.08 3.94 1.7254 2 6 3 8 53.47 1.57 1.7137 1 7 3 8 53.81 7.22 1.7037 1 6 5 8 54.04 1.63 1.6971 3 2 5 8 54.16 1.35 1.6934 2 2 7 8 55.43 4.24 1.6575 4 0 0 2 55.56 3.40 1.6540 2 7 0 4 55.90 1.26 1.6449 4 1 0 4 56.03 2.11 1.6413 3 4 4 8 56.27 2.77 1.6349 1 7 4 8 56.36 8.76 1.6325 3 3 5 8 56.56 1.14 1.6273 3 0 6 4 56.79 2.09 1.6211 1 3 8 8 57.13 1.50 1.6122 2 7 2 8 58.94 1.61 1.5671 4 0 3 4 59.26 1.03 1.5594 3 6 1 8 59.74 2.44 1.5479 1 7 5 8 59.89 5.06 1.5445 4 3 1 8 60.08 2.57 1.5400 3 5 4 8 61.02 1.23 1.5186 4 3 2 8 61.47 6.45 1.5085 0 3 9 4 62.19 3.27 1.4927 2 3 8 8 62.87 2.05 1.4782 4 3 3 8 63.82 1.66 1.4584 1 7 6 8 64.57 3.94 1.4434 2 0 9 4 64.59 1.43 1.4430 0 0 10 2 64.67 1.10 1.4413 1 9 1 8 64.81 2.38 1.4385 3 6 4 8 65.75 1.06 1.4202 1 9 2 8 66.17 1.31 1.4122 1 4 9 8 66.72 1.01 1.4018 4 5 1 8 66.74 1.37 1.4016 0 6 8 4 67.73 1.48 1.3834 3 7 3 8 68.03 1.30 1.3782 3 6 5 8 68.90 2.56 1.3628 2 5 8 8 69.36 1.19 1.3548 2 9 0 4 69.99 1.02 1.3443 1 9 4 8 70.48 2.82 1.3360 0 10 0 2 70.65 1.99 1.3333 3 3 8 8 70.88 2.14 1.3296 4 6 0 4 71.16 1.05 1.3249 2 4 9 8 72.43 1.27 1.3049 4 3 6 8 73.28 2.68 1.2917 3 7 5 8 74.87 2.36 1.2683 2 3 10 8 76.39 1.25 1.2468 4 7 1 8 77.28 1.88 1.2346 2 10 1 8 77.54 1.98 1.2311 1 10 4 8 77.80 1.16 1.2276 0 7 9 4 78.11 1.84 1.2235 5 2 4 8 78.35 1.05 1.2205 4 0 8 4 79.06 3.37 1.2112 2 6 9 8 80.54 1.20 1.1926 1 10 5 8 81.55 1.30 1.1804 2 9 6 8 86.48 1.01 1.1253 5 6 2 8 87.42 2.14 1.1157 4 3 9 8 89.15 2.02 1.0984 5 5 5 8 89.43 1.32 1.0957 2 3 12 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.