Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5 Barbey L, Nguyen N, Raveau B Journal of Solid State Chemistry 102 (1993) 156-163 Nd2BaCuO5-type structure: nickel in square planar coordination and copper mixed valency _cod_database_code 1001558 _database_code_amcsd 0013761 CELL PARAMETERS: 6.6909 6.6909 5.7601 90.000 90.000 90.000 SPACE GROUP: P4/mbm X-RAY WAVELENGTH: 1.541838 Cell Volume: 257.869 Density (g/cm3): 7.038 MAX. ABS. INTENSITY / VOLUME**2: 156.5434325 RIR: 7.242 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.38 7.24 5.7601 0 0 1 2 24.35 15.76 3.6560 1 1 1 8 26.65 1.74 3.3454 2 0 0 4 29.86 18.99 2.9923 2 1 0 8 30.91 100.00 2.8929 2 0 1 8 31.05 37.97 2.8800 0 0 2 2 33.76 54.61 2.6553 2 1 1 16 36.52 1.28 2.4601 1 1 2 8 38.04 23.18 2.3656 2 2 0 4 41.26 3.51 2.1882 2 2 1 8 41.37 2.16 2.1827 2 0 2 8 42.74 18.45 2.1158 3 1 0 8 43.62 36.41 2.0750 2 1 2 16 45.68 2.84 1.9861 3 1 1 16 49.89 18.54 1.8280 2 2 2 8 51.36 2.18 1.7791 1 1 3 8 53.76 8.36 1.7052 3 1 2 16 55.15 16.87 1.6653 2 0 3 8 56.73 5.44 1.6228 4 1 0 8 56.99 8.08 1.6160 2 1 3 16 57.36 9.03 1.6064 4 0 1 8 58.53 3.05 1.5771 3 3 0 4 59.15 11.14 1.5620 4 1 1 16 60.90 9.08 1.5211 3 3 1 8 62.03 7.14 1.4961 4 2 0 8 64.33 3.13 1.4481 4 2 1 16 64.41 2.52 1.4465 4 0 2 8 64.74 5.60 1.4400 0 0 4 2 65.67 1.07 1.4219 3 1 3 16 66.09 8.37 1.4138 4 1 2 16 67.74 1.45 1.3833 3 3 2 8 70.99 7.55 1.3277 4 2 2 16 72.90 2.56 1.2976 2 1 4 16 74.11 1.70 1.2794 5 1 1 16 75.36 3.97 1.2612 4 0 3 8 76.93 4.06 1.2394 4 1 3 16 77.62 3.89 1.2300 2 2 4 8 78.48 4.13 1.2187 3 3 3 8 78.80 2.11 1.2145 5 2 1 16 80.72 3.49 1.1905 3 1 4 16 81.35 1.47 1.1828 4 4 0 4 81.57 1.32 1.1801 4 2 3 16 84.42 1.83 1.1475 5 3 0 8 85.02 2.55 1.1408 5 2 2 16 86.48 1.05 1.1254 5 3 1 16 87.47 3.54 1.1151 6 0 0 4 89.59 1.12 1.0941 4 4 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.