data_global _amcsd_formula_title 'Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5' loop_ _publ_author_name 'Barbey L' 'Nguyen N' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 102 _journal_year 1993 _journal_page_first 156 _journal_page_last 163 _publ_section_title ; Nd2BaCuO5-type structure: nickel in square planar coordination and copper mixed valency _cod_database_code 1001558 ; _database_code_amcsd 0013761 _chemical_formula_sum 'Ba (Nd1.8 Ca.2) (Cu.6 Ni.4) O5' _cell_length_a 6.6909 _cell_length_b 6.6909 _cell_length_c 5.7601 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 257.869 _exptl_crystal_density_diffrn 7.039 _symmetry_space_group_name_H-M 'P 4/m b m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' 'y,-x,-z' '-y,x,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '1/2-y,1/2-x,-z' '-y,x,-z' 'y,-x,z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.50000 0.50000 0.50000 1.00000 Nd1 0.17400 0.67400 0.00000 0.90000 Ca1 0.17400 0.67400 0.00000 0.10000 Cu1 0.50000 0.00000 0.50000 0.60000 Ni1 0.50000 0.00000 0.50000 0.40000 O1 0.00000 0.00000 0.00000 1.00000 O2 0.35930 0.85930 0.26740 1.00000