data_global _amcsd_formula_title 'Ba2 Cu Hg0.98 O4.34' loop_ _publ_author_name 'Alexandre E' 'Loureiro S' 'Antipov E' 'Bordet P' 'de Brion S' 'Capponi J' 'Marezio M' _journal_name_full 'Physica C' _journal_volume 245 _journal_year 1995 _journal_page_first 207 _journal_page_last 211 _publ_section_title ; On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase synthesized under high-pressure _cod_database_code 1008676 ; _database_code_amcsd 0016562 _chemical_formula_sum 'Hg.98 Ba2 Cu O4.34' _cell_length_a 3.86586 _cell_length_b 3.86586 _cell_length_c 9.4764 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 141.624 _exptl_crystal_density_diffrn 7.084 _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 Hg1 0.00000 0.00000 0.00000 0.98000 Ba1 0.50000 0.50000 0.29500 1.00000 Cu1 0.00000 0.00000 0.50000 1.00000 O1 0.00000 0.00000 0.20300 1.00000 O2 0.00000 0.50000 0.50000 1.00000 O3 0.50000 0.50000 0.00000 0.34000