data_global _amcsd_formula_title 'Ca1.1 Cu2 La1.9 O5.95' loop_ _publ_author_name 'Nguyen N' 'Er-Rakho L' 'Michel C' 'Choisnet J' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 15 _journal_year 1980 _journal_page_first 891 _journal_page_last 897 _publ_section_title ; Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets type chlorure de sodium: les oxydes La2-x A1+x Cu2 O6-x/2 (A = Ca, Sr) _cod_database_code 1001293 ; _database_code_amcsd 0014287 _chemical_formula_sum '(La1.9 Ca1.1) Cu2 O5.95' _cell_length_a 3.825 _cell_length_b 3.825 _cell_length_c 19.404 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 283.893 _exptl_crystal_density_diffrn 6.204 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La1 0.00000 0.00000 0.00000 0.10000 Ca1 0.00000 0.00000 0.00000 0.90000 La2 0.00000 0.00000 0.17510 0.90000 Ca2 0.00000 0.00000 0.17510 0.10000 Cu1 0.00000 0.00000 0.58330 1.00000 O1 0.00000 0.50000 0.08000 1.00000 O2 0.00000 0.00000 0.70500 0.97500