data_global _amcsd_formula_title 'Li3 Nb O4' loop_ _publ_author_name 'Grenier J' 'Martin C' 'Durif A' _journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie' _journal_volume 87 _journal_year 1964 _journal_page_first 316 _journal_page_last 320 _publ_section_title ; Etude cristallographique des orthoniobates et orthotantalates de lithium _cod_database_code 1007081 ; _database_code_amcsd 0012117 _chemical_formula_sum 'Nb Li3 O4' _cell_length_a 8.429 _cell_length_b 8.429 _cell_length_c 8.429 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 598.864 _exptl_crystal_density_diffrn 3.942 _symmetry_space_group_name_H-M 'I 2 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-z,x,-y' '1/2-z,1/2+x,1/2-y' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-y,z,-x' '1/2-y,1/2+z,1/2-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' '-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 Nb1 0.14000 0.14000 0.14000 Li1 0.37500 0.37500 0.12500 O1 0.39000 0.39000 0.39000 O2 0.35000 0.13000 0.11500