data_global _amcsd_formula_title 'HgBa2CaCu2O6+delta' loop_ _publ_author_name 'Finger L W' 'Hazen R M' 'Downs R T' 'Meng R L' 'Chu C W' _journal_name_full 'Physica C' _journal_volume 226 _journal_year 1994 _journal_page_first 216 _journal_page_last 221 _publ_section_title ; Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1212 superconductor ; _database_code_amcsd 0015065 _chemical_formula_sum 'Hg.87 Cu2.13 Ba2 Ca O6.64' _cell_length_a 3.8564 _cell_length_b 3.8564 _cell_length_c 12.682 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 188.604 _exptl_crystal_density_diffrn 6.435 _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 _atom_site_U_iso_or_equiv Hg 0.00000 0.00000 0.00000 0.87000 0.01456 Cu 0.00000 0.00000 0.00000 0.13000 0.01456 Ba 0.50000 0.50000 0.22050 1.00000 0.00823 Ca 0.50000 0.50000 0.50000 1.00000 0.00621 Cu 0.00000 0.00000 0.37650 1.00000 0.00583 O1 0.00000 0.50000 0.37580 1.00000 0.00507 O2 0.00000 0.00000 0.15530 1.00000 0.01267 O3 0.50000 0.40000 0.00000 0.10000 0.01013 O4 0.50000 0.00000 0.00000 0.12000 0.01013