data_global _amcsd_formula_title 'Fe0.5 K3 O21 Ta7.5' loop_ _publ_author_name 'Groult D' 'Chailleux J' 'Raveau B' 'Deschanvres A' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 14 _journal_year 1977 _journal_page_first 1 _journal_page_last 10 _publ_section_title ; Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages _cod_database_code 1001299 ; _database_code_amcsd 0015378 _chemical_formula_sum 'K3 Ta7.5 Fe.5 O21' _cell_length_a 9.12 _cell_length_b 9.12 _cell_length_c 12.086 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 870.568 _exptl_crystal_density_diffrn 7.013 _symmetry_space_group_name_H-M 'P 63/m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,1/2+z' 'x-y,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K1 0.59800 0.00000 0.25000 1.00000 Ta1 0.24800 0.00000 0.09600 0.91670 Fe1 0.24800 0.00000 0.09600 0.08330 Ta2 0.33333 0.66667 0.00000 1.00000 O1 0.22400 0.00000 0.25000 1.00000 O2 0.79200 0.00000 0.08900 1.00000 O3 0.17400 0.49700 0.09500 1.00000