data_global _amcsd_formula_title 'Ba2 Cu3 O7 Y' loop_ _publ_author_name 'Capponi J' 'Chaillout C' 'Hewat A' 'Lejay P' 'Marezio M' 'Nguyen N' 'Raveau B' 'Soubeyroux J' 'Tholence J' 'Tournier R' _journal_name_full 'Europhysics Letters' _journal_volume 3 _journal_year 1987 _journal_page_first 1301 _journal_page_last 1307 _publ_section_title ; Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by Neutron Powder Diffraction _cod_database_code 1001454 ; _database_code_amcsd 0012635 _chemical_formula_sum 'Ba2 Y Cu3 O7' _cell_length_a 3.8131 _cell_length_b 3.8806 _cell_length_c 11.6329 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 172.133 _exptl_crystal_density_diffrn 6.427 _symmetry_space_group_name_H-M 'P m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,z' '-x,y,-z' '-x,y,z' 'x,-y,-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 Ba1 0.50000 0.50000 0.18270 Y1 0.50000 0.50000 0.50000 Cu1 0.00000 0.00000 0.00000 Cu2 0.00000 0.00000 0.35470 O1 0.00000 0.00000 0.15900 O2 0.50000 0.00000 0.37710 O3 0.00000 0.50000 0.37730 O4 0.00000 0.50000 0.00000