Ba Cu N 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 1005050 _database_code_amcsd 0012818 CELL PARAMETERS: 14.4620 5.5700 9.4780 90.000 102.960 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 744.036 Density (g/cm3): 5.754 MAX. ABS. INTENSITY / VOLUME**2: 107.1358311 RIR: 6.063 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.22 1.28 4.6183 0 0 2 2 20.34 1.35 4.3671 1 1 1 4 24.75 4.14 3.5977 -1 1 2 4 25.02 34.89 3.5595 -3 1 1 4 25.32 16.06 3.5179 2 0 2 2 28.16 60.16 3.1686 3 1 1 4 28.20 29.99 3.1643 -4 0 2 2 32.14 44.34 2.7850 0 2 0 2 32.58 100.00 2.7480 -1 1 3 4 33.61 1.79 2.6664 0 2 1 4 35.05 14.85 2.5600 -5 1 1 4 35.34 6.16 2.5400 4 0 2 2 38.32 4.84 2.3489 6 0 0 2 38.92 7.33 2.3139 -6 0 2 2 38.95 22.68 2.3122 5 1 1 4 41.11 1.29 2.1957 -4 2 1 4 41.35 12.98 2.1836 2 2 2 4 41.57 1.24 2.1724 -5 1 3 4 41.68 4.04 2.1669 -4 0 4 2 43.28 21.93 2.0906 -4 2 2 4 43.91 7.90 2.0618 2 0 4 2 46.91 11.31 1.9370 -7 1 1 4 47.18 3.86 1.9264 6 0 2 2 48.51 5.57 1.8767 4 2 2 4 48.70 2.96 1.8696 -6 0 4 2 50.85 1.86 1.7956 6 2 0 4 51.02 2.56 1.7901 -7 1 3 4 51.25 1.48 1.7824 7 1 1 4 51.30 2.78 1.7810 5 1 3 4 51.34 7.65 1.7797 -6 2 2 4 51.99 6.81 1.7589 4 0 4 2 53.03 1.63 1.7267 3 3 0 4 53.15 3.14 1.7232 -3 3 1 4 53.59 1.83 1.7102 -4 2 4 4 54.06 5.60 1.6963 1 1 5 4 54.89 6.49 1.6726 3 3 1 4 55.45 4.96 1.6571 2 2 4 4 55.52 10.15 1.6552 -5 1 5 4 57.58 15.42 1.6007 -1 3 3 4 58.23 4.02 1.5843 6 2 2 4 58.32 3.92 1.5821 -8 0 4 2 58.42 7.05 1.5796 -2 0 6 2 59.19 3.33 1.5609 -5 3 1 4 59.56 2.90 1.5523 -6 2 4 4 60.01 5.59 1.5417 -9 1 1 4 60.13 2.09 1.5389 3 1 5 4 60.28 2.92 1.5353 8 0 2 2 61.89 4.88 1.4992 5 3 1 4 62.39 2.54 1.4885 -7 1 5 4 62.45 5.86 1.4872 4 2 4 4 64.67 1.99 1.4412 -10 0 2 2 64.77 3.81 1.4392 9 1 1 4 67.23 4.57 1.3925 0 4 0 2 67.87 3.21 1.3809 -7 3 1 4 68.17 4.17 1.3757 -8 2 4 4 68.26 9.64 1.3740 -2 2 6 4 68.81 1.51 1.3643 5 1 5 4 69.97 4.37 1.3446 8 2 2 4 69.97 1.55 1.3445 -10 0 4 2 73.08 1.22 1.2948 2 4 2 4 73.71 1.97 1.2852 1 3 5 4 74.07 2.87 1.2800 -10 2 2 4 74.44 2.44 1.2745 -4 4 2 4 74.75 1.10 1.2700 8 0 4 2 74.95 3.54 1.2671 -5 3 5 4 75.86 1.59 1.2542 1 1 7 4 78.30 1.18 1.2210 4 4 2 4 78.85 1.93 1.2139 -9 3 1 4 79.09 1.38 1.2108 -10 2 4 4 79.25 1.07 1.2087 -7 1 7 4 79.82 3.11 1.2016 7 1 5 4 80.50 1.04 1.1931 -6 4 2 4 82.00 3.49 1.1750 3 1 7 4 82.05 2.67 1.1745 12 0 0 2 83.13 1.43 1.1620 9 3 1 4 83.42 2.11 1.1586 -11 1 5 4 83.70 1.19 1.1555 8 2 4 4 83.84 1.34 1.1540 2 4 4 4 84.87 1.58 1.1426 -6 0 8 2 87.00 2.74 1.1199 -9 1 7 4 89.84 1.79 1.0918 4 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.