Ba5Si2N6 Yamane H, DiSalvo F Journal of Alloys and Compounds 240 (1996) 33-36 Preparation and crystal structure of a new barium silicon nitride, Ba5Si2N6 _cod_database_code 1005021 _database_code_amcsd 0012780 CELL PARAMETERS: 6.1590 10.3050 15.2920 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 970.560 Density (g/cm3): 5.658 MAX. ABS. INTENSITY / VOLUME**2: 59.77742590 RIR: 3.440 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.35 1.23 8.5457 0 1 1 4 14.42 1.97 6.1404 0 1 2 4 15.51 1.01 5.7130 1 0 1 4 16.77 1.69 5.2867 1 1 0 4 17.75 9.15 4.9966 1 1 1 4 18.17 2.86 4.8828 0 2 1 4 20.42 19.11 4.3485 1 1 2 4 22.50 2.75 3.9519 1 2 0 4 23.25 1.60 3.8262 1 2 1 4 23.27 1.71 3.8230 0 0 4 2 24.26 29.00 3.6695 1 1 3 4 24.57 5.52 3.6237 0 2 3 4 24.84 24.34 3.5843 0 1 4 4 25.37 8.02 3.5107 1 2 2 4 26.60 4.10 3.3515 0 3 1 4 27.46 1.46 3.2481 1 0 4 4 28.58 50.35 3.1232 1 2 3 4 28.82 20.65 3.0979 1 1 4 4 29.08 19.28 3.0702 0 2 4 4 29.59 46.85 3.0189 2 0 1 4 29.78 32.77 3.0000 1 3 0 4 30.29 4.32 2.9506 2 1 0 4 30.36 100.00 2.9439 1 3 1 4 30.49 29.95 2.9320 0 1 5 4 30.86 4.16 2.8971 2 1 1 4 31.31 22.78 2.8565 2 0 2 4 31.40 1.31 2.8486 0 3 3 4 32.05 19.78 2.7927 1 3 2 4 32.53 20.08 2.7527 2 1 2 4 32.59 43.10 2.7477 1 2 4 4 33.86 26.61 2.6473 1 1 5 4 34.09 4.28 2.6300 0 2 5 4 34.70 2.25 2.5854 1 3 3 4 34.82 4.77 2.5763 0 4 0 2 35.12 2.12 2.5551 0 3 4 4 35.14 14.62 2.5536 2 1 3 4 35.33 1.10 2.5405 0 4 1 4 35.95 10.62 2.4983 2 2 2 4 36.31 3.87 2.4741 0 1 6 4 36.81 10.75 2.4414 0 4 2 4 37.17 4.22 2.4187 1 2 5 4 37.50 1.27 2.3982 2 0 4 4 37.85 2.69 2.3767 1 4 0 4 38.36 10.94 2.3466 2 2 3 4 38.54 18.87 2.3358 2 1 4 4 39.24 8.32 2.2958 1 1 6 4 39.44 4.20 2.2845 0 2 6 4 39.45 2.87 2.2842 0 3 5 4 39.71 5.99 2.2696 1 4 2 4 39.75 1.96 2.2676 2 3 1 4 41.10 9.25 2.1963 2 3 2 4 41.53 2.84 2.1742 2 2 4 4 41.62 3.06 2.1700 2 0 5 4 41.94 2.80 2.1541 1 4 3 4 42.19 8.31 2.1419 1 2 6 4 42.20 1.35 2.1417 1 3 5 4 42.29 1.70 2.1371 0 1 7 4 42.57 2.34 2.1235 2 1 5 4 43.27 1.59 2.0911 2 3 3 4 43.98 6.68 2.0589 1 0 7 4 44.25 2.92 2.0468 0 3 6 4 44.35 2.34 2.0425 0 5 1 4 44.89 3.31 2.0190 1 1 7 4 44.91 4.12 2.0184 1 4 4 4 45.35 1.04 1.9999 2 2 5 4 45.59 1.97 1.9900 0 5 2 4 46.07 4.29 1.9704 0 4 5 4 46.65 1.41 1.9471 3 1 2 4 46.77 1.35 1.9423 1 3 6 4 47.12 2.91 1.9287 2 1 6 4 47.53 1.37 1.9131 2 4 2 4 47.56 2.38 1.9119 1 2 7 4 47.59 6.04 1.9107 0 5 3 4 48.05 2.30 1.8936 1 5 2 4 48.08 11.04 1.8925 3 2 1 4 48.43 4.14 1.8794 0 1 8 4 48.51 4.97 1.8767 1 4 5 4 48.62 5.19 1.8726 3 1 3 4 49.24 7.17 1.8505 3 2 2 4 49.47 5.74 1.8424 2 4 3 4 49.69 3.18 1.8347 2 2 6 4 49.96 1.05 1.8256 1 0 8 4 49.98 3.78 1.8249 1 5 3 4 50.29 5.97 1.8142 0 5 4 4 50.36 7.53 1.8119 0 4 6 4 50.79 1.89 1.7976 1 1 8 4 51.14 2.63 1.7862 3 2 3 4 51.27 1.15 1.7818 2 0 7 4 51.28 5.70 1.7815 3 1 4 4 51.88 6.33 1.7622 3 3 0 4 52.09 11.57 1.7557 2 1 7 4 52.10 6.80 1.7554 2 4 4 4 52.66 7.33 1.7382 1 4 6 4 53.23 3.93 1.7208 1 2 8 4 53.35 7.74 1.7172 3 3 2 4 53.62 1.04 1.7091 0 5 5 4 53.70 5.22 1.7068 0 6 1 4 53.71 5.51 1.7066 3 2 4 4 53.78 4.26 1.7046 2 3 6 4 53.78 1.70 1.7046 3 0 5 4 53.86 1.76 1.7022 2 5 1 4 54.49 1.12 1.6839 2 2 7 4 54.57 2.19 1.6817 3 1 5 4 54.75 4.17 1.6765 0 1 9 4 54.78 2.30 1.6757 0 6 2 4 54.94 11.32 1.6714 2 5 2 4 55.14 3.84 1.6655 3 3 3 4 55.35 1.13 1.6597 2 4 5 4 55.55 1.39 1.6544 1 6 0 4 55.82 1.18 1.6469 1 5 5 4 55.90 1.41 1.6448 1 6 1 4 56.16 1.12 1.6379 1 0 9 4 56.70 5.50 1.6236 2 5 3 4 56.95 1.36 1.6170 1 6 2 4 57.14 2.32 1.6121 1 3 8 4 57.28 5.09 1.6084 1 4 7 4 57.39 1.62 1.6056 3 4 0 4 57.44 3.31 1.6043 2 1 8 4 57.59 3.97 1.6004 3 3 4 4 57.74 1.95 1.5968 3 4 1 4 58.34 2.54 1.5817 2 3 7 4 58.41 1.73 1.5799 3 1 6 4 59.19 3.88 1.5610 1 2 9 4 59.61 1.68 1.5509 1 5 6 4 59.70 2.11 1.5489 2 2 8 4 60.09 2.37 1.5397 4 0 0 2 60.43 1.99 1.5320 4 0 1 4 60.45 1.40 1.5314 3 4 3 4 60.65 2.44 1.5269 3 3 5 4 60.82 2.08 1.5230 0 3 9 4 60.83 2.06 1.5228 4 1 0 4 61.03 2.41 1.5183 1 6 4 4 61.16 2.64 1.5153 4 1 1 4 62.04 1.86 1.4960 3 0 7 4 62.15 1.48 1.4935 4 1 2 4 62.18 1.22 1.4928 2 6 1 4 62.34 4.40 1.4895 1 4 8 4 62.59 3.67 1.4841 1 0 10 4 63.07 3.35 1.4740 4 0 3 4 63.17 6.94 1.4719 2 6 2 4 63.35 2.33 1.4682 2 3 8 4 63.45 1.51 1.4660 0 2 10 4 63.48 6.15 1.4654 2 4 7 4 63.79 1.02 1.4591 4 1 3 4 63.91 2.73 1.4566 1 5 7 4 63.98 2.80 1.4551 1 6 5 4 64.26 1.43 1.4495 3 3 6 4 64.31 1.16 1.4486 4 2 2 4 64.34 1.21 1.4480 3 5 1 4 64.79 1.97 1.4390 2 6 3 4 64.90 2.29 1.4367 3 2 7 4 65.44 1.83 1.4262 1 2 10 4 65.47 2.73 1.4256 1 7 1 4 65.68 3.75 1.4216 3 4 5 4 66.43 1.06 1.4073 1 7 2 4 66.99 2.12 1.3970 0 3 10 4 67.50 2.00 1.3877 1 6 6 4 67.57 1.11 1.3863 3 1 8 4 68.13 1.27 1.3764 4 2 4 4 68.19 2.13 1.3753 4 0 5 4 68.76 1.08 1.3652 2 3 9 4 68.92 1.03 1.3624 1 3 10 4 69.15 1.49 1.3585 3 4 6 4 69.20 1.17 1.3577 2 1 10 4 69.29 1.42 1.3561 1 0 11 4 69.64 1.53 1.3501 3 2 8 4 69.97 1.18 1.3445 1 1 11 4 71.54 2.20 1.3188 4 3 4 4 71.94 2.05 1.3125 3 6 1 4 72.17 1.46 1.3090 3 0 9 4 72.27 3.12 1.3073 4 1 6 4 72.59 1.27 1.3024 4 4 2 4 72.95 1.35 1.2967 1 7 5 4 73.15 2.92 1.2937 3 4 7 4 73.91 1.48 1.2823 1 5 9 4 74.36 1.24 1.2756 2 5 8 4 74.38 1.66 1.2754 3 6 3 4 74.84 1.94 1.2687 3 2 9 4 75.35 1.93 1.2613 1 3 11 4 76.28 1.30 1.2483 1 7 6 4 76.59 2.38 1.2440 1 8 2 4 77.36 3.19 1.2335 4 5 0 4 77.59 3.37 1.2304 2 2 11 4 77.66 1.35 1.2295 4 5 1 4 78.55 1.62 1.2178 3 1 10 4 78.90 3.37 1.2132 4 4 5 4 79.17 1.08 1.2099 3 6 5 4 79.32 1.57 1.2079 0 6 9 4 80.03 1.63 1.1989 4 5 3 4 80.15 1.35 1.1975 1 7 7 4 80.40 1.43 1.1944 5 2 1 4 80.67 1.26 1.1911 4 1 8 4 80.81 1.27 1.1893 5 1 3 4 80.86 1.86 1.1888 2 3 11 4 81.28 2.24 1.1836 5 2 2 4 81.77 3.23 1.1778 2 7 6 4 82.15 1.24 1.1733 4 4 6 4 82.81 1.17 1.1657 1 8 5 4 83.52 1.80 1.1575 3 5 8 4 83.64 1.78 1.1562 5 3 1 4 84.94 1.69 1.1418 3 7 4 4 85.04 1.09 1.1407 2 5 10 4 85.66 1.24 1.1340 4 1 9 4 85.98 2.00 1.1306 5 3 3 4 87.58 2.87 1.1140 4 2 9 4 87.59 1.50 1.1139 2 3 12 4 87.61 1.38 1.1137 1 9 2 4 89.18 2.83 1.0982 4 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.