data_global _amcsd_formula_title 'Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88' loop_ _publ_author_name 'Suard E' 'Caignaert V' 'Maignan A' 'Raveau B' _journal_name_full 'Physica C' _journal_volume 182 _journal_year 1991 _journal_page_first 219 _journal_page_last 227 _publ_section_title ; The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and Ba2Y1-xCaxCu3-xFexO6 _cod_database_code 1001491 ; _database_code_amcsd 0015030 _chemical_formula_sum '(Y.88 Ca.12) Ba2 Cu2.88 Fe.12 O6.98' _cell_length_a 3.8604 _cell_length_b 3.8604 _cell_length_c 11.6725 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 173.952 _exptl_crystal_density_diffrn 6.292 _symmetry_space_group_name_H-M 'P 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' 'y,-x,-z' '-y,x,z' 'x,-y,z' '-x,y,-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '-y,x,-z' 'y,-x,z' '-x,y,z' 'x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y1 0.50000 0.50000 0.50000 0.88000 Ca1 0.50000 0.50000 0.50000 0.12000 Ba1 0.50000 0.50000 0.18630 1.00000 Cu1 0.00000 0.00000 0.00000 0.88000 Fe1 0.00000 0.00000 0.00000 0.12000 Cu2 0.00000 0.00000 0.35710 1.00000 O1 0.00000 0.50000 0.37700 1.00000 O2 0.00000 0.00000 0.15780 1.00000 O3 0.00000 0.50000 0.00000 0.49000