data_global _amcsd_formula_title 'Ba3 Cu2 Hg O10 Sr Tl2' loop_ _publ_author_name 'Goutenoire F' 'Hervieu M' 'Martin C' 'Maignan A' 'Michel C' 'Letouze F' 'Raveau B' _journal_name_full 'Chemistry of Materials' _journal_volume 6 _journal_year 1994 _journal_page_first 1654 _journal_page_last 1658 _publ_section_title ; Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 _cod_database_code 1000369 ; _database_code_amcsd 0012201 _chemical_formula_sum 'Hg Tl2 Cu2 (Ba3 Sr) O10' _cell_length_a 3.8289 _cell_length_b 3.8289 _cell_length_c 41.75699 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 612.177 _exptl_crystal_density_diffrn 7.574 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Tl1 0.00000 0.00000 0.22370 1.00000 Cu1 0.00000 0.00000 0.11350 1.00000 Ba1 0.50000 0.50000 0.06640 0.75000 Sr1 0.50000 0.50000 0.06640 0.25000 Ba2 0.50000 0.50000 0.15960 0.75000 Sr2 0.50000 0.50000 0.15960 0.25000 O1 0.00000 0.00000 0.05000 1.00000 O2 0.50000 0.00000 0.11400 1.00000 O3 0.00000 0.00000 0.17400 1.00000 O4 0.50000 0.50000 0.22800 1.00000