B Ga O4 Sr Yang Z, Liang J, Chen X, Chen J Journal of Solid State Chemistry 165 (2002) 119-124 Ab intio structure determination of a new compound, beta-SrGaBO4,from powder diffraction data _cod_database_code 1100052 _database_code_amcsd 0018236 CELL PARAMETERS: 15.3706 8.9921 5.9191 90.000 90.000 90.000 SPACE GROUP: P2_12_12 X-RAY WAVELENGTH: 1.541838 Cell Volume: 818.102 Density (g/cm3): 3.769 MAX. ABS. INTENSITY / VOLUME**2: 18.11805745 RIR: 1.565 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.40 2.43 7.7615 1 1 0 4 11.51 11.40 7.6853 2 0 0 2 15.17 15.23 5.8422 2 1 0 4 18.85 5.36 4.7066 1 1 1 4 18.92 13.15 4.6895 2 0 1 4 19.75 45.01 4.4960 0 2 0 2 19.95 51.97 4.4516 3 1 0 4 21.37 10.44 4.1580 2 1 1 4 22.92 100.00 3.8807 2 2 0 4 23.15 41.47 3.8426 4 0 0 2 24.87 13.33 3.5803 0 2 1 4 25.03 10.90 3.5577 3 1 1 4 25.20 27.15 3.5335 4 1 0 4 25.55 11.51 3.4870 1 2 1 4 26.37 1.38 3.3794 3 2 0 4 27.48 24.12 3.2454 2 2 1 4 27.68 50.43 3.2230 4 0 1 4 29.44 1.18 3.0340 4 1 1 4 30.20 2.47 2.9595 0 0 2 2 30.38 4.37 2.9420 1 3 0 4 30.46 18.70 2.9348 3 2 1 4 30.60 61.54 2.9211 4 2 0 4 32.05 66.10 2.7925 2 3 0 4 32.37 84.51 2.7653 1 1 2 4 32.42 44.20 2.7618 2 0 2 4 34.03 6.45 2.6345 1 3 1 4 34.23 1.47 2.6195 4 2 1 4 34.35 10.50 2.6106 5 1 1 4 35.03 6.76 2.5618 6 0 0 2 35.55 4.72 2.5255 2 3 1 4 36.34 31.46 2.4720 0 2 2 4 36.46 52.17 2.4646 3 1 2 4 36.47 18.24 2.4637 6 1 0 4 36.83 7.91 2.4407 1 2 2 4 37.96 1.10 2.3706 3 3 1 4 38.28 2.13 2.3510 6 0 1 4 38.39 2.78 2.3447 4 0 2 4 40.11 3.68 2.2480 0 4 0 2 41.13 1.37 2.1949 4 3 1 4 42.10 9.24 2.1461 5 3 0 4 42.37 5.50 2.1331 7 1 0 4 43.04 6.05 2.1016 0 4 1 4 43.44 4.07 2.0834 6 2 1 4 43.46 1.72 2.0822 1 4 1 4 43.53 3.26 2.0790 4 2 2 4 43.63 2.32 2.0746 5 1 2 4 43.99 2.07 2.0586 3 4 0 4 44.61 2.99 2.0311 2 3 2 4 44.70 1.91 2.0271 2 4 1 4 45.18 2.64 2.0068 7 1 1 4 46.00 10.41 1.9731 7 2 0 4 46.63 35.02 1.9478 3 3 2 4 46.64 2.44 1.9474 6 3 0 4 46.72 1.09 1.9444 3 4 1 4 46.82 1.40 1.9404 4 4 0 4 46.91 1.68 1.9369 6 0 2 4 47.18 16.42 1.9264 5 2 2 4 47.31 6.41 1.9213 8 0 0 2 47.55 1.12 1.9122 1 1 3 4 47.58 4.39 1.9111 2 0 3 4 48.05 13.15 1.8935 6 1 2 4 48.64 2.05 1.8718 7 2 1 4 48.71 3.31 1.8693 2 1 3 4 49.26 11.58 1.8499 6 3 1 4 49.35 13.68 1.8468 4 3 2 4 50.28 5.21 1.8146 5 4 0 4 50.52 5.66 1.8067 0 2 3 4 50.60 1.88 1.8038 3 1 3 4 51.00 5.37 1.7909 8 1 1 4 51.02 1.30 1.7902 0 4 2 4 51.36 18.74 1.7789 6 2 2 4 51.39 21.87 1.7781 1 4 2 4 51.60 7.41 1.7713 7 3 0 4 51.99 1.21 1.7588 2 2 3 4 52.11 4.15 1.7552 4 0 3 4 52.24 13.55 1.7511 2 5 0 4 52.49 6.32 1.7435 2 4 2 4 52.68 3.02 1.7374 5 3 2 4 52.76 6.15 1.7349 5 4 1 4 52.91 20.29 1.7305 7 1 2 4 53.59 8.47 1.7101 1 5 1 4 54.04 2.51 1.6970 7 3 1 4 54.04 6.20 1.6969 3 5 0 4 54.18 3.88 1.6930 8 2 1 4 54.28 12.03 1.6900 3 4 2 4 54.29 3.89 1.6897 6 4 0 4 54.66 2.06 1.6792 2 5 1 4 54.71 9.33 1.6779 9 1 0 4 56.35 2.13 1.6329 5 1 3 4 56.50 2.16 1.6289 4 5 0 4 56.73 5.56 1.6227 4 4 2 4 56.93 4.36 1.6175 8 3 0 4 57.16 2.63 1.6115 8 0 2 4 57.16 2.25 1.6114 2 3 3 4 57.75 1.60 1.5965 9 2 0 4 58.16 8.80 1.5862 8 1 2 4 59.22 1.38 1.5603 8 3 1 4 59.55 1.93 1.5523 5 5 0 4 59.78 7.84 1.5470 5 4 2 4 60.54 2.15 1.5293 1 5 2 4 60.96 3.77 1.5199 7 3 2 4 61.03 3.56 1.5183 7 4 1 4 61.53 3.68 1.5071 2 5 2 4 62.24 1.12 1.4916 1 6 0 4 62.60 3.24 1.4839 9 3 0 4 62.79 13.33 1.4798 0 0 4 2 63.16 1.27 1.4721 3 5 2 4 63.17 2.73 1.4719 6 5 0 4 63.37 4.60 1.4678 10 1 1 4 63.76 1.12 1.4596 9 1 2 4 63.94 1.04 1.4560 2 4 3 4 64.02 2.42 1.4544 10 2 0 4 65.02 1.01 1.4345 2 1 4 4 65.40 1.83 1.4270 4 5 2 4 65.80 1.56 1.4194 8 3 2 4 66.52 2.09 1.4056 0 2 4 4 66.60 3.48 1.4042 3 1 4 4 67.59 4.00 1.3860 6 3 3 4 67.77 4.69 1.3827 2 2 4 4 67.87 3.01 1.3809 4 0 4 4 68.22 2.83 1.3747 5 5 2 4 68.62 1.88 1.3677 10 3 0 4 68.78 1.47 1.3649 4 1 4 4 68.83 4.06 1.3641 10 0 2 4 69.02 1.10 1.3606 8 1 3 4 69.12 1.81 1.3590 4 6 1 4 69.39 1.06 1.3544 7 5 1 4 70.42 1.10 1.3370 0 6 2 4 70.51 1.27 1.3356 5 4 3 4 70.73 6.09 1.3320 1 6 2 4 71.07 1.94 1.3265 9 3 2 4 71.21 3.34 1.3242 1 5 3 4 71.35 1.34 1.3220 1 3 4 4 71.47 9.70 1.3201 4 2 4 4 71.71 2.11 1.3162 8 2 3 4 72.26 9.19 1.3075 2 3 4 4 72.40 4.35 1.3053 10 2 2 4 72.63 1.82 1.3017 11 2 1 4 73.15 1.32 1.2937 3 6 2 4 73.97 2.33 1.2814 6 0 4 4 74.06 2.35 1.2801 1 7 0 4 74.19 1.33 1.2782 9 1 3 4 74.85 3.09 1.2685 6 1 4 4 74.88 1.26 1.2681 12 1 0 4 74.96 2.17 1.2670 2 7 0 4 75.51 1.06 1.2591 7 5 2 4 76.77 4.49 1.2415 10 3 2 4 77.04 2.89 1.2378 7 6 0 4 77.20 5.80 1.2357 9 4 2 4 77.71 2.22 1.2289 7 4 3 4 77.92 9.15 1.2261 5 6 2 4 78.43 2.96 1.2193 3 7 1 4 78.51 1.08 1.2183 4 7 0 4 78.52 1.48 1.2182 5 3 4 4 78.70 1.27 1.2159 7 1 4 4 78.99 1.10 1.2122 9 5 1 4 79.81 1.96 1.2017 10 1 3 4 79.93 3.58 1.2002 8 5 2 4 81.02 4.92 1.1868 11 4 0 4 81.27 2.03 1.1838 7 2 4 4 81.96 2.49 1.1755 12 0 2 4 82.01 2.98 1.1749 1 7 2 4 82.23 1.44 1.1724 8 0 4 4 82.24 2.53 1.1723 13 1 0 4 82.76 1.74 1.1662 10 4 2 4 82.89 2.70 1.1648 2 7 2 4 83.11 1.84 1.1622 5 7 1 4 84.48 1.60 1.1468 5 4 4 4 84.52 1.21 1.1463 10 5 1 4 85.13 1.23 1.1397 4 6 3 4 85.35 1.54 1.1373 12 2 2 4 85.51 1.92 1.1356 7 3 4 4 85.91 1.43 1.1313 4 0 5 4 86.01 4.33 1.1303 2 5 4 4 86.37 1.36 1.1265 9 6 0 4 87.46 2.48 1.1153 3 5 4 4 87.66 1.51 1.1132 6 4 4 4 88.00 3.47 1.1098 9 1 4 4 88.32 1.40 1.1066 9 6 1 4 89.47 1.20 1.0953 4 5 4 4 89.57 3.82 1.0944 12 3 2 4 89.83 1.90 1.0918 8 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.