data_global _amcsd_formula_title 'Li2 O6 Te Ti' loop_ _publ_author_name 'Choisnet J' 'Rulmont A' 'Tarte P' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 82 _journal_year 1989 _journal_page_first 272 _journal_page_last 278 _publ_section_title ; Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6 _cod_database_code 1001856 ; _database_code_amcsd 0013666 _chemical_formula_sum 'Li (Te.5 Ti.5) O3' _cell_length_a 5.072 _cell_length_b 4.903 _cell_length_c 8.402 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 208.941 _exptl_crystal_density_diffrn 4.536 _symmetry_space_group_name_H-M 'P n n 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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 0.72300 1.00000 Li2 0.00000 0.50000 0.79000 1.00000 Te1 0.00000 0.00000 0.10570 0.94000 Ti2 0.00000 0.00000 0.10570 0.06000 Te2 0.00000 0.50000 0.40260 0.06000 Ti1 0.00000 0.50000 0.40260 0.94000 O1 0.16600 0.25400 0.25700 1.00000 O2 0.66900 0.20700 0.07800 1.00000 O3 0.82900 0.79300 0.93800 1.00000