Ba Ca4 Cu2 N4 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 1005052 _database_code_amcsd 0012820 CELL PARAMETERS: 8.2366 8.2366 12.5731 90.000 90.000 90.000 SPACE GROUP: P4/ncc X-RAY WAVELENGTH: 1.541838 Cell Volume: 852.979 Density (g/cm3): 3.743 MAX. ABS. INTENSITY / VOLUME**2: 41.47681262 RIR: 3.608 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.09 16.71 6.2866 0 0 2 2 17.75 64.48 4.9973 1 0 2 8 20.79 4.65 4.2724 1 1 2 8 25.19 20.30 3.5349 2 1 1 16 28.08 65.65 3.1781 2 1 2 16 28.39 4.78 3.1433 0 0 4 2 30.44 13.58 2.9367 1 0 4 8 30.70 13.16 2.9121 2 2 0 4 32.36 85.26 2.7668 2 1 3 16 32.37 9.23 2.7661 1 1 4 8 33.93 4.53 2.6424 2 2 2 8 34.43 100.00 2.6046 3 1 0 8 35.19 8.14 2.5505 3 1 1 16 35.68 8.53 2.5161 3 0 2 8 35.94 9.94 2.4986 2 0 4 8 37.37 9.06 2.4063 3 1 2 16 37.62 6.50 2.3910 2 1 4 16 42.08 11.28 2.1471 3 2 2 16 42.31 2.94 2.1362 2 2 4 8 43.17 6.15 2.0955 0 0 6 2 43.58 3.05 2.0768 2 1 5 16 43.78 5.72 2.0678 3 0 4 8 43.97 3.79 2.0591 4 0 0 4 44.62 1.55 2.0308 1 0 6 8 45.21 5.59 2.0058 3 2 3 16 45.21 7.05 2.0056 3 1 4 16 46.00 3.49 1.9729 4 1 1 16 46.03 21.66 1.9718 1 1 6 8 46.79 3.64 1.9414 3 3 0 4 47.77 9.98 1.9039 4 1 2 16 48.76 14.98 1.8676 2 0 6 8 49.31 7.59 1.8479 3 2 4 16 49.49 15.44 1.8418 4 2 0 8 50.05 4.80 1.8223 4 2 1 16 50.08 1.88 1.8214 2 1 6 16 50.45 3.03 1.8091 3 1 5 16 50.62 5.66 1.8033 4 1 3 16 51.72 2.17 1.7675 4 2 2 16 53.18 2.79 1.7225 4 0 4 8 53.90 2.67 1.7009 2 2 6 8 54.42 4.05 1.6860 4 1 4 16 55.64 4.19 1.6517 3 3 4 8 56.35 1.46 1.6327 3 1 6 16 57.01 2.77 1.6153 5 1 0 8 57.05 1.47 1.6144 2 1 7 16 57.87 6.59 1.5935 5 0 2 8 57.87 8.87 1.5935 4 3 2 16 58.04 3.28 1.5891 4 2 4 16 59.06 1.21 1.5642 4 1 5 16 59.90 1.18 1.5442 3 2 6 16 59.92 3.42 1.5438 1 0 8 8 60.38 1.34 1.5331 4 3 3 16 61.03 2.34 1.5183 5 2 1 16 62.50 3.11 1.4861 5 2 2 16 62.51 2.64 1.4859 4 2 5 16 63.32 17.68 1.4687 4 0 6 8 63.94 5.82 1.4560 4 4 0 4 64.46 2.99 1.4456 2 1 8 16 64.90 11.71 1.4368 5 2 3 16 64.90 2.64 1.4367 5 1 4 16 65.55 16.58 1.4241 3 3 6 8 66.15 1.27 1.4126 5 3 0 8 68.02 1.44 1.3782 5 3 2 16 68.19 2.54 1.3753 5 2 4 16 68.33 5.92 1.3728 6 0 0 4 68.83 2.51 1.3640 3 0 8 8 70.17 1.79 1.3412 6 0 2 8 71.24 1.00 1.3237 6 1 2 16 72.31 1.23 1.3068 5 2 5 16 72.34 7.57 1.3062 2 1 9 16 73.04 1.06 1.2954 6 2 1 16 73.08 3.99 1.2948 3 2 8 16 73.50 2.02 1.2885 6 1 3 16 74.09 1.12 1.2797 5 4 1 16 74.11 2.67 1.2793 5 1 6 16 76.62 2.78 1.2436 6 1 4 16 77.24 2.65 1.2352 4 1 8 16 77.64 1.54 1.2297 5 4 3 16 77.70 1.28 1.2290 1 1 10 8 79.54 3.87 1.2051 6 3 2 16 79.70 2.83 1.2031 6 2 4 16 80.71 2.42 1.1905 5 4 4 16 82.32 2.48 1.1713 5 3 6 16 82.88 1.40 1.1648 5 5 0 4 83.31 1.45 1.1599 7 1 1 16 83.60 1.07 1.1566 7 0 2 8 83.80 1.22 1.1543 2 2 10 8 84.66 1.18 1.1448 4 1 9 16 85.82 1.61 1.1323 3 1 10 16 87.63 1.83 1.1135 7 2 2 16 88.37 2.09 1.1061 6 2 6 16 89.39 2.24 1.0961 5 2 8 16 89.79 1.67 1.0922 7 1 4 16 89.79 1.18 1.0922 5 5 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.