BrN2C4O4 Barney E American Mineralogist 32 (1947) 685-685 The structure of diglycine hydrobromide _database_code_amcsd 0000044 CELL PARAMETERS: 8.2100 18.4200 5.4000 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 816.632 Density (g/cm3): 1.789 MAX. ABS. INTENSITY / VOLUME**2: 5.610319166 RIR: 1.021 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.60 19.57 9.2100 0 2 0 2 11.80 100.00 7.4989 1 1 0 4 14.45 1.30 6.1285 1 2 0 4 17.11 1.80 5.1819 0 1 1 4 18.04 81.02 4.9170 1 3 0 4 19.27 12.05 4.6050 0 4 0 2 19.68 23.20 4.5116 1 0 1 4 20.27 2.40 4.3821 1 1 1 4 21.65 1.51 4.1050 2 0 0 2 21.92 52.48 4.0549 0 3 1 4 21.94 37.11 4.0516 1 2 1 4 22.19 6.49 4.0067 2 1 0 4 23.73 60.32 3.7494 2 2 0 4 24.48 30.52 3.6356 1 3 1 4 25.42 57.15 3.5039 0 4 1 4 26.11 35.90 3.4126 2 3 0 4 26.52 15.98 3.3611 1 5 0 4 27.29 41.54 3.2680 2 0 1 4 27.68 2.44 3.2227 1 4 1 4 27.72 53.18 3.2177 2 1 1 4 28.99 11.60 3.0798 2 2 1 4 29.14 4.18 3.0643 2 4 0 4 29.35 5.36 3.0432 0 5 1 4 31.00 68.82 2.8848 2 3 1 4 31.10 26.19 2.8755 1 6 0 4 31.35 10.18 2.8535 1 5 1 4 32.66 3.34 2.7418 2 5 0 4 33.18 11.93 2.7000 0 0 2 2 33.55 25.83 2.6715 0 1 2 4 33.58 53.26 2.6688 0 6 1 4 33.63 46.54 2.6651 2 4 1 4 34.18 7.90 2.6233 3 2 0 4 34.62 4.60 2.5910 0 2 2 4 34.98 14.75 2.5649 1 0 2 4 35.33 7.14 2.5404 1 1 2 4 35.36 14.43 2.5381 1 6 1 4 35.83 1.02 2.5059 1 7 0 4 35.93 1.80 2.4996 3 3 0 4 36.35 28.73 2.4716 0 3 2 4 36.36 11.17 2.4708 1 2 2 4 36.55 2.20 2.4585 2 6 0 4 36.76 4.19 2.4447 2 5 1 4 36.82 16.29 2.4411 3 0 1 4 37.15 9.30 2.4199 3 1 1 4 38.02 5.16 2.3667 1 3 2 4 38.04 7.65 2.3655 0 7 1 4 38.14 15.58 2.3596 3 2 1 4 38.26 9.84 2.3526 3 4 0 4 39.12 3.22 2.3025 0 8 0 2 39.65 20.06 2.2730 1 7 1 4 39.74 7.01 2.2684 3 3 1 4 39.97 1.27 2.2558 2 0 2 4 40.25 5.60 2.2407 1 4 2 4 40.28 9.16 2.2391 2 1 2 4 40.70 3.84 2.2170 1 8 0 4 40.73 18.87 2.2153 2 7 0 4 41.20 3.14 2.1910 2 2 2 4 41.46 1.07 2.1777 0 5 2 4 41.89 13.17 2.1568 3 4 1 4 42.69 2.67 2.1180 0 8 1 4 42.70 9.48 2.1174 2 3 2 4 42.97 2.77 2.1050 1 5 2 4 44.16 4.67 2.0509 1 8 1 4 44.19 3.96 2.0496 2 7 1 4 44.34 13.06 2.0428 3 6 0 4 44.41 5.56 2.0399 4 1 0 4 44.52 1.79 2.0349 3 5 1 4 44.74 9.74 2.0258 2 4 2 4 45.15 1.81 2.0082 2 8 0 4 46.12 6.74 1.9683 1 6 2 4 47.25 3.67 1.9238 2 5 2 4 47.51 1.63 1.9138 0 9 1 4 47.59 2.72 1.9107 3 6 1 4 47.66 9.37 1.9083 4 1 1 4 48.36 5.55 1.8822 2 8 1 4 48.38 2.43 1.8815 3 2 2 4 48.47 4.41 1.8783 4 2 1 4 48.86 16.31 1.8638 1 9 1 4 49.63 4.69 1.8367 1 7 2 4 49.71 10.42 1.8343 3 3 2 4 49.78 3.26 1.8316 2 9 0 4 49.79 6.77 1.8313 4 3 1 4 50.19 12.92 1.8178 2 6 2 4 50.93 5.78 1.7930 4 5 0 4 51.03 1.72 1.7896 3 7 1 4 51.52 2.98 1.7737 3 4 2 4 51.61 1.60 1.7710 4 4 1 4 51.90 2.21 1.7619 3 8 0 4 52.27 2.65 1.7503 1 1 3 4 52.49 4.15 1.7434 0 10 1 4 52.78 1.38 1.7346 2 9 1 4 53.01 5.02 1.7273 0 3 3 4 53.48 1.82 1.7134 1 8 2 4 53.50 4.69 1.7126 2 7 2 4 53.75 4.97 1.7053 1 10 1 4 53.80 4.35 1.7040 3 5 2 4 53.88 4.10 1.7017 4 5 1 4 54.27 1.08 1.6903 1 3 3 4 54.61 3.19 1.6806 2 10 0 4 54.81 1.59 1.6750 3 8 1 4 55.76 8.70 1.6485 2 0 3 4 55.98 3.37 1.6426 1 4 3 4 56.01 4.22 1.6419 2 1 3 4 56.05 1.67 1.6408 1 11 0 4 56.25 2.15 1.6355 5 1 0 4 56.41 2.40 1.6310 0 9 2 4 56.49 2.90 1.6291 3 6 2 4 56.57 2.32 1.6270 4 6 1 4 56.73 3.07 1.6227 2 2 3 4 56.89 5.03 1.6184 4 7 0 4 56.94 3.69 1.6173 0 5 3 4 57.17 3.49 1.6113 2 8 2 4 57.43 1.46 1.6046 2 10 1 4 57.62 1.89 1.5998 1 9 2 4 57.92 1.86 1.5921 2 3 3 4 58.16 1.38 1.5863 5 3 0 4 58.45 1.50 1.5790 4 3 2 4 58.78 2.99 1.5710 5 0 1 4 58.82 2.52 1.5699 1 11 1 4 59.01 3.13 1.5653 5 1 1 4 59.56 4.58 1.5521 3 7 2 4 59.57 1.34 1.5520 2 4 3 4 59.71 5.93 1.5486 5 2 1 4 59.80 6.26 1.5466 5 4 0 4 60.08 9.13 1.5399 4 4 2 4 60.29 2.53 1.5350 0 12 0 2 60.60 4.59 1.5281 3 10 0 4 60.70 7.37 1.5257 1 6 3 4 60.87 2.83 1.5220 5 3 1 4 61.64 2.34 1.5047 2 5 3 4 61.91 5.19 1.4989 3 1 3 4 62.03 2.04 1.4961 1 10 2 4 62.15 1.26 1.4937 4 5 2 4 62.30 2.65 1.4903 2 11 1 4 62.52 5.68 1.4857 0 7 3 4 63.24 3.18 1.4704 3 10 1 4 63.71 6.03 1.4607 3 3 3 4 64.08 2.02 1.4532 1 12 1 4 64.27 2.06 1.4493 4 9 0 4 64.48 1.86 1.4451 5 5 1 4 65.41 2.49 1.4268 2 10 2 4 66.77 5.54 1.4011 3 9 2 4 66.88 1.50 1.3989 5 1 2 4 66.96 3.84 1.3974 1 8 3 4 66.99 3.01 1.3970 2 7 3 4 67.03 4.37 1.3963 1 13 0 4 67.24 1.51 1.3923 3 5 3 4 67.40 2.53 1.3894 2 12 1 4 67.47 1.63 1.3881 4 7 2 4 67.54 2.47 1.3869 5 2 2 4 69.44 1.70 1.3535 6 2 0 4 69.45 1.92 1.3533 4 0 3 4 69.54 1.56 1.3518 1 13 1 4 69.55 1.63 1.3516 0 9 3 4 69.65 1.84 1.3500 0 0 4 2 69.71 1.50 1.3489 5 7 1 4 69.86 1.78 1.3464 0 1 4 4 69.97 2.79 1.3446 2 11 2 4 70.12 1.77 1.3420 5 4 2 4 70.31 2.82 1.3389 4 2 3 4 70.32 1.01 1.3388 3 12 0 4 70.43 1.82 1.3369 5 8 0 4 70.70 3.25 1.3325 4 8 2 4 70.72 1.76 1.3321 1 0 4 4 70.86 1.30 1.3299 3 10 2 4 70.93 1.17 1.3287 4 10 1 4 71.56 2.39 1.3185 0 3 4 4 71.57 1.80 1.3184 1 2 4 4 71.65 2.02 1.3171 1 12 2 4 72.03 3.07 1.3111 5 5 2 4 72.74 1.44 1.3000 2 13 1 4 72.78 1.80 1.2994 3 12 1 4 72.85 1.85 1.2984 4 4 3 4 72.89 1.03 1.2977 5 8 1 4 72.90 2.13 1.2975 4 11 0 4 74.11 1.48 1.2793 2 1 4 4 74.43 1.40 1.2746 6 4 1 4 74.62 3.47 1.2718 1 10 3 4 75.23 1.17 1.2631 1 14 1 4 75.33 2.95 1.2616 4 11 1 4 75.77 1.44 1.2553 2 3 4 4 76.43 1.16 1.2462 5 9 1 4 76.86 1.12 1.2403 1 13 2 4 77.00 1.54 1.2383 4 6 3 4 77.03 2.90 1.2380 5 7 2 4 77.22 1.03 1.2354 2 4 4 4 77.97 1.08 1.2254 3 13 1 4 78.20 3.38 1.2224 4 10 2 4 78.54 1.39 1.2179 6 1 2 4 78.56 1.21 1.2176 6 6 1 4 78.81 1.42 1.2145 1 15 0 4 79.12 3.20 1.2105 5 1 3 4 79.73 1.36 1.2027 5 2 3 4 80.18 1.59 1.1971 6 3 2 4 80.75 1.08 1.1901 5 3 3 4 80.93 1.98 1.1878 3 3 4 4 81.21 1.26 1.1844 6 7 1 4 81.31 2.12 1.1833 2 6 4 4 82.38 3.20 1.1707 1 14 2 4 82.39 2.59 1.1705 7 1 0 4 83.46 1.46 1.1582 3 14 1 4 83.62 1.04 1.1563 1 12 3 4 83.94 1.04 1.1528 2 7 4 4 84.17 1.31 1.1502 3 5 4 4 84.23 1.18 1.1495 2 15 1 4 84.25 2.23 1.1493 6 8 1 4 85.12 1.79 1.1398 4 13 1 4 86.21 1.37 1.1282 5 6 3 4 86.39 1.17 1.1263 3 6 4 4 86.67 1.91 1.1234 2 12 3 4 87.10 1.09 1.1189 3 11 3 4 87.76 1.04 1.1122 7 4 1 4 89.00 1.31 1.0999 3 7 4 4 89.45 2.00 1.0955 4 4 4 4 89.57 2.49 1.0944 7 5 1 4 89.96 1.25 1.0906 4 10 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.