data_global _amcsd_formula_title 'Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31' loop_ _publ_author_name 'Knizek K' 'Malo S' 'Michel C' 'Maignan A' 'Pollert E' 'Raveau B' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 34 _journal_year 1997 _journal_page_first 1063 _journal_page_last 1074 _publ_section_title ; Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d _cod_database_code 1001794 ; _database_code_amcsd 0012613 _chemical_formula_sum 'Hg.69 V.31 (Ba1.95 Sr.05) Ca Cu2 O7' _cell_length_a 3.8687 _cell_length_b 3.8687 _cell_length_c 12.496 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 187.026 _exptl_crystal_density_diffrn 6.264 _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 V1 0.10000 0.00000 0.00000 0.07750 Ba1 0.50000 0.50000 0.21790 0.97500 Sr1 0.50000 0.50000 0.21790 0.02500 Ca1 0.50000 0.50000 0.50000 1.00000 Cu1 0.00000 0.00000 0.37690 1.00000 O1 0.00000 0.50000 0.37800 1.00000 O2 0.00000 0.00000 0.14800 1.00000 O3 0.36500 0.36500 0.00000 0.25000