data_global _amcsd_formula_title 'K2 O12 P3 Ti2' loop_ _publ_author_name 'Leclaire A' 'Benmoussa A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 78 _journal_year 1989 _journal_page_first 227 _journal_page_last 231 _publ_section_title ; K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence Nonstoichiometric Titanophosphate with Langbeinite Structure _cod_database_code 1001396 ; _database_code_amcsd 0013637 _chemical_formula_sum 'Ti2 K2 P3 O12' _cell_length_a 9.8688 _cell_length_b 9.8688 _cell_length_c 9.8688 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 961.154 _exptl_crystal_density_diffrn 3.171 _symmetry_space_group_name_H-M 'P 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti1 0.66257 0.66257 0.66257 Ti2 0.39258 0.39258 0.39258 K1 0.95591 0.95591 0.95591 K2 0.18437 0.18437 0.18437 P1 0.47556 0.70937 0.37811 O1 0.60215 0.82705 0.75011 O2 0.45286 0.30460 0.21980 O3 0.48428 0.56425 0.32696 O4 0.54510 0.72680 0.51655