Ba16 Cu13 N15 Niewa R, DiSalvo F Journal of Alloys and Compounds 279 (1998) 153-160 Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4) and Ca4Ba(CuN2)2 _cod_database_code 1005051 _database_code_amcsd 0012819 CELL PARAMETERS: 9.5611 7.2731 13.5225 90.000 93.115 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 938.950 Density (g/cm3): 5.718 MAX. ABS. INTENSITY / VOLUME**2: 37.20296400 RIR: 2.119 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.26 6.20 9.5470 1 0 0 2 16.49 1.02 5.3762 1 0 2 2 16.87 1.37 5.2556 1 1 1 4 19.88 3.75 4.4664 -1 1 2 4 23.24 1.79 3.8273 0 1 3 4 23.40 2.43 3.8015 2 0 2 2 24.66 14.08 3.6105 -1 1 3 4 25.36 1.57 3.5114 0 2 1 4 26.22 20.82 3.3984 1 2 0 4 26.46 28.96 3.3690 2 1 2 4 26.93 19.33 3.3108 -1 2 1 4 27.18 14.54 3.2806 1 2 1 4 27.54 11.49 3.2383 -1 0 4 2 27.87 45.52 3.2016 0 2 2 4 28.52 100.00 3.1295 1 0 4 2 29.17 5.78 3.0619 0 1 4 4 29.19 15.46 3.0593 -1 2 2 4 29.23 91.96 3.0557 -2 1 3 4 29.66 73.32 3.0122 1 2 2 4 30.21 21.47 2.9583 -1 1 4 4 30.39 2.42 2.9409 -3 0 2 2 30.61 3.84 2.9209 2 1 3 4 30.67 41.16 2.9155 3 1 0 4 30.91 4.47 2.8927 2 2 0 4 31.06 47.70 2.8795 -3 1 1 4 31.11 1.92 2.8747 1 1 4 4 31.62 1.37 2.8296 -2 0 4 2 31.63 31.43 2.8286 0 2 3 4 31.72 84.19 2.8210 3 1 1 4 31.73 4.66 2.8201 3 0 2 2 31.85 1.77 2.8097 2 2 1 4 32.71 2.90 2.7377 -1 2 3 4 32.85 39.86 2.7264 -3 1 2 4 33.33 1.58 2.6881 2 0 4 2 33.34 23.72 2.6872 1 2 3 4 34.00 38.19 2.6370 -2 1 4 4 34.10 16.27 2.6293 3 1 2 4 34.12 4.47 2.6278 2 2 2 4 36.24 8.90 2.4785 -1 1 5 4 37.70 1.16 2.3862 0 3 1 4 37.89 3.22 2.3748 -3 2 1 4 37.93 5.33 2.3721 1 2 4 4 38.30 1.10 2.3498 1 3 0 4 38.44 2.00 2.3416 3 2 1 4 38.81 12.37 2.3202 -1 3 1 4 39.35 5.22 2.2897 -4 0 2 2 39.40 4.03 2.2867 -3 2 2 4 39.43 3.88 2.2853 -2 1 5 4 39.49 8.93 2.2817 0 3 2 4 40.83 6.18 2.2101 1 3 2 4 41.34 6.85 2.1840 -4 1 2 4 41.66 3.00 2.1681 0 2 5 4 41.73 7.74 2.1643 1 0 6 2 41.79 9.62 2.1617 2 2 4 4 41.94 4.77 2.1540 3 1 4 4 42.03 2.69 2.1499 0 1 6 4 42.18 48.48 2.1426 -2 3 1 4 42.35 1.22 2.1344 0 3 3 4 42.71 4.11 2.1170 4 1 2 4 43.19 2.80 2.0946 1 2 5 4 43.52 1.13 2.0796 -2 0 6 2 43.76 4.08 2.0686 -4 1 3 4 45.17 3.25 2.0073 -2 2 5 4 45.36 5.54 1.9995 -2 1 6 4 45.46 1.87 1.9954 4 2 0 4 45.48 10.51 1.9942 2 0 6 2 45.54 1.97 1.9920 -3 2 4 4 45.66 1.24 1.9870 -4 2 1 4 45.72 14.17 1.9845 4 1 3 4 46.14 2.28 1.9675 -2 3 3 4 46.77 7.28 1.9424 2 2 5 4 47.08 2.50 1.9301 2 3 3 4 47.51 12.50 1.9136 0 2 6 4 47.63 1.97 1.9094 5 0 0 2 48.86 1.63 1.8640 -5 0 2 2 48.98 5.99 1.8598 1 2 6 4 49.09 2.05 1.8556 -4 2 3 4 49.30 24.53 1.8483 -1 1 7 4 49.46 1.02 1.8428 -5 1 1 4 49.57 17.15 1.8390 4 1 4 4 49.85 5.21 1.8293 -3 2 5 4 49.95 1.97 1.8260 -3 1 6 4 50.56 1.34 1.8053 -2 2 6 4 50.60 2.51 1.8040 0 3 5 4 50.90 4.85 1.7941 -3 3 3 4 51.14 2.35 1.7862 1 4 0 4 51.19 9.22 1.7845 -1 3 5 4 51.25 1.38 1.7826 -4 1 5 4 51.54 2.46 1.7731 -1 4 1 4 51.69 2.20 1.7685 -2 1 7 4 51.69 2.08 1.7684 1 4 1 4 51.92 1.33 1.7610 1 3 5 4 52.07 2.36 1.7565 3 2 5 4 52.09 1.89 1.7557 0 4 2 4 52.18 3.15 1.7530 -4 2 4 4 52.21 6.56 1.7519 3 3 3 4 52.32 3.73 1.7485 2 2 6 4 52.60 2.46 1.7400 3 1 6 4 53.18 4.84 1.7224 1 4 2 4 53.66 3.12 1.7082 -2 3 5 4 53.86 6.34 1.7021 -5 0 4 2 54.08 1.19 1.6957 -4 3 1 4 54.14 3.75 1.6941 4 1 5 4 54.26 2.05 1.6905 5 2 0 4 54.28 5.50 1.6899 -2 4 1 4 54.37 1.71 1.6875 -5 2 1 4 54.42 5.89 1.6859 0 4 3 4 54.50 7.60 1.6837 -4 0 6 2 54.65 13.49 1.6794 4 3 1 4 55.39 7.97 1.6588 -5 2 2 4 55.51 4.01 1.6554 -2 4 2 4 55.55 2.46 1.6545 1 4 3 4 55.83 1.49 1.6468 1 0 8 2 55.92 1.07 1.6441 0 1 8 4 56.05 2.01 1.6408 -4 2 5 4 56.66 1.50 1.6245 5 0 4 2 56.77 1.09 1.6216 5 2 2 4 57.04 3.21 1.6145 1 3 6 4 57.29 6.78 1.6083 -5 2 3 4 57.83 7.26 1.5944 -3 3 5 4 57.96 13.18 1.5912 6 0 0 2 58.19 1.65 1.5855 5 1 4 4 58.37 1.37 1.5810 2 2 7 4 58.70 1.12 1.5730 -3 4 1 4 58.73 1.31 1.5722 1 4 4 4 58.77 1.38 1.5710 4 3 3 4 59.03 8.36 1.5648 2 0 8 2 59.31 2.26 1.5581 5 2 3 4 59.84 4.26 1.5455 3 3 5 4 60.59 2.01 1.5282 3 4 2 4 60.61 2.11 1.5279 -4 2 6 4 61.42 5.77 1.5094 0 3 7 4 61.58 1.54 1.5061 2 4 4 4 61.74 2.47 1.5025 -3 4 3 4 62.00 1.98 1.4968 -1 4 5 4 62.01 2.02 1.4966 -5 0 6 2 62.39 1.53 1.4884 5 1 5 4 62.60 1.29 1.4839 5 3 1 4 62.82 1.39 1.4792 -2 2 8 4 62.89 1.06 1.4777 -5 3 2 4 62.91 2.30 1.4774 3 4 3 4 63.88 1.55 1.4571 -2 3 7 4 64.19 1.63 1.4509 -2 4 5 4 64.42 1.58 1.4463 0 5 1 4 64.65 1.52 1.4417 6 2 1 4 64.67 2.25 1.4413 -6 1 4 4 64.75 2.94 1.4398 -6 2 2 4 64.84 2.63 1.4380 1 5 0 4 65.08 2.03 1.4332 4 1 7 4 65.08 3.52 1.4332 4 4 1 4 65.31 1.54 1.4287 1 5 1 4 65.46 1.13 1.4258 -2 1 9 4 65.46 2.29 1.4258 2 4 5 4 65.79 1.96 1.4195 -4 2 7 4 66.04 1.91 1.4148 -4 0 8 2 66.04 1.44 1.4147 4 3 5 4 66.26 2.01 1.4105 6 2 2 4 66.42 2.58 1.4075 -6 2 3 4 66.45 4.35 1.4070 -3 2 8 4 67.25 1.01 1.3922 1 4 6 4 67.69 1.30 1.3841 0 5 3 4 67.70 1.75 1.3840 -5 2 6 4 67.97 1.63 1.3792 -3 4 5 4 68.66 3.27 1.3670 6 2 3 4 68.90 1.29 1.3628 1 2 9 4 69.42 4.55 1.3538 3 2 8 4 70.13 1.67 1.3419 3 3 7 4 70.52 1.93 1.3354 -2 5 3 4 71.00 1.75 1.3276 0 1 10 4 71.18 2.49 1.3246 -1 1 10 4 71.50 1.20 1.3196 -3 5 1 4 71.69 1.47 1.3165 -6 3 2 4 71.86 2.46 1.3138 3 5 1 4 72.49 1.33 1.3038 -3 5 2 4 72.64 1.22 1.3016 -5 4 2 4 72.72 3.90 1.3003 5 1 7 4 72.94 1.13 1.2970 -2 1 10 4 73.13 1.31 1.2940 6 3 2 4 73.16 1.26 1.2937 -2 5 4 4 73.52 2.85 1.2882 5 3 5 4 73.57 1.34 1.2874 -2 4 7 4 74.11 1.40 1.2793 2 5 4 4 74.29 2.14 1.2767 -5 4 3 4 74.35 4.54 1.2758 0 3 9 4 74.51 1.10 1.2735 -5 3 6 4 74.80 1.65 1.2693 -7 1 4 4 74.89 2.03 1.2680 -3 0 10 2 75.10 1.13 1.2650 1 5 5 4 75.99 1.76 1.2523 -6 2 6 4 76.02 1.67 1.2519 4 3 7 4 76.38 1.41 1.2470 -2 3 9 4 76.40 1.51 1.2466 1 2 10 4 76.64 3.62 1.2433 7 2 2 4 76.78 2.68 1.2413 7 0 4 2 77.70 1.72 1.2290 2 5 5 4 77.91 1.21 1.2262 -4 2 9 4 78.43 1.02 1.2194 3 0 10 2 78.98 2.37 1.2122 0 6 0 2 79.13 2.10 1.2104 0 1 11 4 80.22 1.49 1.1966 6 2 6 4 80.84 1.43 1.1890 -7 3 1 4 82.51 1.03 1.1691 2 6 1 4 82.54 1.26 1.1688 -3 4 8 4 82.74 1.18 1.1665 5 4 5 4 82.97 1.27 1.1638 -1 6 3 4 83.53 2.04 1.1575 -1 5 7 4 83.64 1.31 1.1561 -5 5 1 4 83.73 1.04 1.1552 4 5 4 4 83.78 1.81 1.1545 -8 1 3 4 84.59 1.91 1.1456 6 4 3 4 85.03 1.44 1.1408 -4 5 5 4 85.31 1.14 1.1378 3 4 8 4 85.54 1.19 1.1353 -1 6 4 4 85.59 1.08 1.1347 4 1 10 4 85.95 1.21 1.1309 -8 1 4 4 86.00 1.04 1.1304 1 6 4 4 86.09 2.07 1.1294 -7 1 7 4 87.08 1.48 1.1191 -6 3 7 4 87.88 1.65 1.1110 -3 2 11 4 89.22 1.11 1.0978 1 1 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.