data_global _amcsd_formula_title 'Ba2 Cu Hg O4.24' loop_ _publ_author_name 'Pissas M' 'Billon B' 'Charalambous M' 'Chaussy J' 'LeFloch S' 'Bordet P' 'Capponi J' _journal_name_full 'Superconductivity: Science and Technology' _journal_volume 10 _journal_year 1997 _journal_page_first 598 _journal_page_last 604 _publ_section_title ; Single-crystal growth and characterization of the superconductor HgBa2CuO4+d _cod_database_code 1008823 ; _database_code_amcsd 0016692 _chemical_formula_sum 'Hg Cu Ba2 O4.24' _cell_length_a 3.8751 _cell_length_b 3.8751 _cell_length_c 9.4852 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 142.434 _exptl_crystal_density_diffrn 7.072 _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 1.00000 Cu1 0.00000 0.00000 0.50000 1.00000 Ba1 0.50000 0.50000 0.29840 1.00000 O1 0.00000 0.00000 0.20700 1.00000 O2 0.50000 0.00000 0.50000 1.00000 O3 0.50000 0.50000 0.00000 0.24000