data_global _amcsd_formula_title 'Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3' loop_ _publ_author_name 'Bordet P' 'Le Floch S' 'Capponi J' 'Chaillout C' 'Gorius M' 'Marezio M' 'Tholence J' 'Radaelli P' _journal_name_full 'Physica C' _journal_volume 262 _journal_year 1996 _journal_page_first 151 _journal_page_last 158 _publ_section_title ; Gold substitution in mercury cuprate superconductors _cod_database_code 1008771 ; _database_code_amcsd 0016648 _chemical_formula_sum 'Hg.69 Au.17 Ba2 Ca2 Cu3 O8.3' _cell_length_a 3.8464 _cell_length_b 3.8464 _cell_length_c 15.739 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 232.855 _exptl_crystal_density_diffrn 6.062 _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 0.69000 Au1 0.00000 0.00000 0.00000 0.17000 Ba1 0.50000 0.50000 0.17280 1.00000 Ca1 0.50000 0.50000 0.39780 1.00000 Cu1 0.00000 0.00000 0.50000 1.00000 Cu2 0.00000 0.00000 0.29720 1.00000 O1 0.50000 0.00000 0.50000 1.00000 O2 0.50000 0.00000 0.30040 1.00000 O3 0.00000 0.00000 0.12040 1.00000 O4 0.50000 0.50000 0.00000 0.30000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Hg1 0.00600 0.00600 0.04800 0.00000 0.00000 0.00000 Au1 0.00600 0.00600 0.04800 0.00000 0.00000 0.00000 Ba1 0.01500 0.01500 0.03100 0.00000 0.00000 0.00000 O3 0.00500 0.00500 0.05600 0.00000 0.00000 0.00000