data_global _amcsd_formula_title 'Ca0.05 Cu La1.95 O4.09' loop_ _publ_author_name 'Rial C' 'Moran E' 'Alario-Franco M' 'Amador U' 'Martinez J' 'Rodriguez-Carvajal J' 'Andersen N' _journal_name_full 'Physica C' _journal_volume 297 _journal_year 1998 _journal_page_first 277 _journal_page_last 293 _publ_section_title ; Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006184 ; _database_code_amcsd 0015093 _chemical_formula_sum '(La1.95 Ca.05) Cu O4.07' _cell_length_a 5.3514 _cell_length_b 5.3730 _cell_length_c 13.1945 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 379.382 _exptl_crystal_density_diffrn 7.030 _symmetry_space_group_name_H-M 'B m a b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' 'x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '-x,1/2-y,1/2+z' '1/2-x,1/2-y,+z' '-x,y,z' '1/2-x,y,1/2+z' 'x,-y,-z' '1/2+x,-y,1/2-z' 'x,1/2-y,1/2+z' '1/2+x,1/2-y,+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,-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 0.00150 0.36010 0.97500 Ca1 0.00000 0.00150 0.36010 0.02500 Cu1 0.00000 0.00000 0.00000 1.00000 O1 0.25000 0.25000 0.00440 1.01000 O2 0.00000 -0.02180 0.18250 0.89450 O3 0.01800 0.09800 0.18200 0.05270 O4 0.25000 0.25000 0.24400 0.03500