data_global _amcsd_formula_title 'Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7' loop_ _publ_author_name 'Hervieu M' 'Van Tendeloo G' 'Michel C' 'Martin C' 'Maignan A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 115 _journal_year 1995 _journal_page_first 525 _journal_page_last 531 _publ_section_title ; Synthesis and characterization of mercury-based "1222" cuprates (Hg1-xMx) (Sr,Ba)2 Pr2 Cu2 O9-d _cod_database_code 1001650 ; _database_code_amcsd 0013858 _chemical_formula_sum '(Hg.3 Tl.7) Sr2 Pr2 Cu2 O9' _cell_length_a 3.8642 _cell_length_b 3.8642 _cell_length_c 29.56799 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 441.510 _exptl_crystal_density_diffrn 7.006 _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 0.30000 Tl1 0.00000 0.00000 0.00000 0.70000 Sr1 0.00000 0.00000 0.58470 1.00000 Pr1 0.00000 0.00000 0.70550 1.00000 Cu1 0.00000 0.00000 0.14800 1.00000 O1 0.00000 0.00000 0.06800 1.00000 O2 0.00000 0.50000 0.14820 1.00000 O3 0.00000 0.50000 0.25000 1.00000 O4 0.00000 0.00000 0.50000 1.00000