data_global _amcsd_formula_title 'Ba3 Li Nb3 O21 Ti5' loop_ _publ_author_name 'Mercey C' 'Groult D' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 13 _journal_year 1978 _journal_page_first 797 _journal_page_last 804 _publ_section_title ; Insertion du lithium dans les oxydes de type A3 M8 O21: les composes Li Ba M3 Ti5 O21 _cod_database_code 1001281 ; _database_code_amcsd 0014264 _chemical_formula_sum 'Li Ba3 (Ti5 Nb3) O21' _cell_length_a 9.072 _cell_length_b 9.072 _cell_length_c 11.670 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 831.778 _exptl_crystal_density_diffrn 5.083 _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 Li1 0.00000 0.00000 0.25000 1.00000 Ba1 0.59600 0.00000 0.25000 1.00000 Ti1 0.24200 0.00000 0.09400 0.75000 Nb1 0.24200 0.00000 0.09400 0.25000 Ti2 0.33333 0.66667 0.00000 0.25000 Nb2 0.33333 0.66667 0.00000 0.75000 O1 0.22300 0.00000 0.25000 1.00000 O2 0.78600 0.00000 0.08900 1.00000 O3 0.16900 0.48300 0.10800 1.00000