data_global _amcsd_formula_title 'K3 Nb8 O21' loop_ _publ_author_name 'Benabbas A' 'Borel M' 'Grandin A' 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 49 _journal_year 1993 _journal_page_first 439 _journal_page_last 441 _publ_section_title ; Single-crystal structure of K3 Nb8 O21 _cod_database_code 1001860 ; _database_code_amcsd 0010282 _chemical_formula_sum 'Nb8 K3 O21' _cell_length_a 9.1584 _cell_length_b 9.1584 _cell_length_c 12.0404 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 874.602 _exptl_crystal_density_diffrn 4.544 _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 Nb1 0.66667 0.33333 0.00000 Nb2 0.24888 0.24888 0.09468 K1 0.59380 0.59380 0.25000 O1 0.48180 0.31430 0.09580 O2 0.20060 0.00000 0.07400 O3 0.20700 0.20700 0.25000