Braithwaiteite Hawthorne F C, Cooper M A, Paar W H Journal of Coordination Chemistry 61 (2008) 15-29 The crystal structure of braithwaiteite Locality: Black Vein, Laurani, Bolivia _database_code_amcsd 0013021 CELL PARAMETERS: 7.0308 9.8823 10.6754 106.973 104.274 93.839 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 679.756 Density (g/cm3): 3.710 MAX. ABS. INTENSITY / VOLUME**2: 27.79286994 RIR: 2.439 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.02 100.00 9.8054 0 0 1 2 9.46 28.34 9.3451 0 1 0 2 10.80 1.18 8.1952 0 -1 1 2 13.14 4.51 6.7368 1 0 0 2 13.72 1.39 6.4560 -1 0 1 2 15.04 37.66 5.8912 0 1 1 2 17.20 4.30 5.1541 -1 1 1 2 17.34 1.84 5.1133 1 1 0 2 17.54 12.13 5.0553 0 -1 2 2 17.93 14.37 4.9460 1 0 1 2 18.24 8.00 4.8633 0 -2 1 2 18.99 2.08 4.6725 0 2 0 2 19.19 18.63 4.6249 -1 0 2 2 21.46 2.51 4.1411 -1 2 0 2 21.69 5.08 4.0976 0 -2 2 2 24.09 7.85 3.6939 1 -1 2 2 24.24 8.27 3.6712 -1 2 1 2 24.25 5.08 3.6704 -1 -2 2 2 24.76 7.85 3.5953 1 2 0 2 25.27 5.14 3.5240 1 0 2 2 25.45 11.15 3.4996 -2 0 1 2 26.46 2.48 3.3684 2 0 0 2 26.59 24.24 3.3529 1 -2 2 2 26.79 2.79 3.3275 -1 0 3 2 26.83 2.38 3.3233 -2 1 1 2 27.13 3.20 3.2867 0 -3 1 2 27.59 18.27 3.2332 -2 -1 1 2 27.63 8.86 3.2280 -2 0 2 2 27.88 6.50 3.2003 0 -2 3 2 28.63 1.67 3.1176 0 -3 2 2 28.65 1.21 3.1156 -2 -1 2 2 28.66 1.92 3.1150 0 3 0 2 28.77 15.27 3.1028 -1 -2 3 2 29.46 4.36 3.0322 1 -3 1 2 29.51 5.25 3.0274 2 1 0 2 29.65 4.98 3.0134 1 2 1 2 29.68 2.07 3.0098 2 -1 1 2 29.75 2.12 3.0031 -1 2 2 2 29.88 4.67 2.9905 -2 1 2 2 30.30 14.33 2.9502 -2 2 0 2 30.34 31.72 2.9456 0 2 2 2 30.37 16.56 2.9434 2 0 1 2 31.29 18.18 2.8591 -2 2 1 2 31.76 4.03 2.8178 0 1 3 2 31.86 2.44 2.8086 1 -1 3 2 31.96 1.23 2.8003 1 -3 2 2 32.05 5.13 2.7923 2 -2 1 2 32.42 8.15 2.7620 -2 0 3 2 32.43 1.52 2.7610 -2 -1 3 2 32.60 5.71 2.7464 -2 -2 1 2 32.65 11.12 2.7423 -2 -2 2 2 32.74 1.07 2.7354 -1 3 1 2 32.78 5.99 2.7317 0 -3 3 2 32.83 2.25 2.7283 0 3 1 2 33.65 1.40 2.6634 1 0 3 2 33.90 2.01 2.6440 -1 -1 4 2 34.75 5.77 2.5818 0 -1 4 2 34.81 3.73 2.5771 -2 2 2 2 35.10 12.23 2.5567 2 2 0 2 35.52 12.89 2.5276 0 -2 4 2 36.20 4.10 2.4813 2 -2 2 2 36.59 11.47 2.4561 0 -4 1 2 36.66 1.31 2.4514 0 0 4 2 36.88 1.62 2.4371 -1 2 3 2 36.97 12.59 2.4317 0 -4 2 2 37.87 1.30 2.3756 1 -4 1 2 37.97 1.24 2.3698 1 1 3 2 38.31 8.01 2.3493 0 2 3 2 38.83 1.82 2.3192 0 -3 4 2 38.86 1.37 2.3174 -1 4 0 2 38.95 1.08 2.3124 -2 0 4 2 39.19 1.55 2.2989 -1 1 4 2 39.53 2.36 2.2799 -2 -3 1 2 39.63 1.20 2.2744 -1 -4 2 2 39.93 2.80 2.2578 -2 -2 4 2 40.63 1.55 2.2206 1 -2 4 2 41.98 2.32 2.1520 -3 0 3 2 41.99 1.46 2.1516 -1 4 1 2 42.07 2.10 2.1478 -2 1 4 2 42.47 2.43 2.1282 -3 -1 3 2 42.62 2.20 2.1213 1 0 4 2 42.82 1.13 2.1118 3 -1 1 2 42.95 1.89 2.1056 -1 -2 5 2 43.66 1.37 2.0730 2 -4 1 2 44.01 5.81 2.0576 0 -2 5 2 44.12 5.15 2.0526 3 -2 1 2 44.36 2.68 2.0419 -1 0 5 2 44.75 1.10 2.0252 -3 -2 1 2 45.62 5.11 1.9884 2 -4 2 2 45.79 1.38 1.9818 -2 4 1 2 46.15 1.36 1.9668 -3 3 0 2 46.20 1.10 1.9651 -2 -2 5 2 46.47 1.04 1.9542 0 -5 1 2 47.04 2.59 1.9320 0 2 4 2 47.04 2.61 1.9319 2 3 1 2 47.58 1.07 1.9111 3 -1 2 2 47.70 1.55 1.9065 -2 -4 1 2 48.20 1.56 1.8881 0 4 2 2 48.34 1.18 1.8828 -3 -2 4 2 49.42 2.12 1.8444 2 -4 3 2 49.67 2.74 1.8356 -2 4 2 2 49.68 4.47 1.8352 -2 -4 4 2 50.79 2.93 1.7977 2 4 0 2 51.89 4.22 1.7620 2 0 4 2 52.08 1.88 1.7561 1 0 5 2 52.28 10.64 1.7498 -4 0 2 2 52.50 2.68 1.7430 -4 0 1 2 53.20 2.34 1.7218 -3 4 1 2 53.69 1.98 1.7070 -4 -1 2 2 53.92 3.75 1.7006 -2 -4 5 2 53.92 1.40 1.7005 -1 0 6 2 54.76 3.80 1.6764 2 -4 4 2 55.08 1.35 1.6672 -2 4 3 2 55.11 1.44 1.6664 -2 2 5 2 55.21 4.75 1.6638 -2 0 6 2 56.01 1.03 1.6417 -3 4 2 2 56.29 3.94 1.6342 0 0 6 2 58.03 1.10 1.5893 -3 -4 1 2 59.20 1.52 1.5606 1 -3 6 2 59.28 1.58 1.5588 0 -6 4 2 59.34 1.52 1.5575 0 6 0 2 59.37 1.13 1.5567 1 -5 5 2 59.59 1.67 1.5514 -2 -4 6 2 60.63 1.34 1.5272 2 -6 1 2 61.13 1.22 1.5161 2 -6 2 2 61.23 2.25 1.5137 4 2 0 2 61.39 1.16 1.5102 2 -4 5 2 61.42 1.73 1.5096 1 -6 4 2 61.55 4.48 1.5067 2 4 2 2 61.63 1.45 1.5049 4 -2 2 2 61.71 2.11 1.5031 2 2 4 2 61.76 2.27 1.5021 -2 6 0 2 61.78 4.19 1.5016 -2 4 4 2 61.84 1.61 1.5004 1 -4 6 2 62.05 1.75 1.4958 -2 -2 7 2 62.05 1.35 1.4957 -1 -5 6 2 62.07 2.87 1.4952 -4 2 4 2 62.24 1.23 1.4917 -1 6 1 2 63.02 2.42 1.4751 -4 4 0 2 63.26 1.12 1.4699 1 6 0 2 63.38 2.21 1.4674 0 6 1 2 63.93 1.78 1.4562 -2 2 6 2 63.95 1.56 1.4559 -1 -6 5 2 64.20 1.21 1.4507 -2 -6 3 2 64.56 1.82 1.4435 -1 -4 7 2 64.70 3.23 1.4407 -2 -6 2 2 65.66 1.89 1.4220 4 2 1 2 66.59 2.62 1.4043 2 -2 6 2 66.78 2.86 1.4008 0 0 7 2 67.60 1.69 1.3858 -4 -4 3 2 67.89 3.10 1.3805 -4 -2 6 2 68.42 1.95 1.3712 -4 -4 4 2 68.72 1.41 1.3659 0 -6 6 2 68.90 1.54 1.3627 -5 1 0 2 69.67 1.05 1.3496 -5 2 0 2 71.12 1.08 1.3256 3 -6 3 2 71.32 1.13 1.3224 3 -4 5 2 71.34 1.36 1.3220 -2 -2 8 2 72.08 1.49 1.3103 0 4 5 2 75.18 1.01 1.2638 0 -4 8 2 77.77 1.20 1.2281 0 -8 2 2 83.63 1.15 1.1562 -4 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.