data_global _amcsd_formula_title 'Ba2 Cu3 Er O6.99' loop_ _publ_author_name 'Torardi C' 'McCarron E' 'Subramanian M' 'Horowitz H' 'Michel J' 'Sleight A' 'Cox D' _journal_name_full 'American Chemical Society: Symposium Series' _journal_volume 351 _journal_year 1987 _journal_page_first 152 _journal_page_last 163 _publ_section_title ; Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001436 ; _database_code_amcsd 0011988 _chemical_formula_sum 'Ba2 Er Cu3 O6.99' _cell_length_a 3.8123 _cell_length_b 3.8756 _cell_length_c 11.6576 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 172.240 _exptl_crystal_density_diffrn 7.177 _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 _atom_site_occupancy Ba1 0.50000 0.50000 0.18380 1.00000 Er1 0.50000 0.50000 0.50000 1.00000 Cu1 0.00000 0.00000 0.00000 1.00000 Cu2 0.00000 0.00000 0.35630 1.00000 O1 0.00000 0.00000 0.15960 1.00000 O2 0.00000 0.50000 0.37900 1.00000 O3 0.50000 0.00000 0.37910 1.00000 O4 0.00000 0.50000 0.00000 0.89000 O5 0.50000 0.00000 0.00000 0.10000