data_global _amcsd_formula_title 'K O25 P6 Si2 Ti3' loop_ _publ_author_name 'Benmoussa A' 'Borel M' 'Grandin A' 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 47 _journal_year 1991 _journal_page_first 936 _journal_page_last 938 _publ_section_title ; Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25 _cod_database_code 1001857 ; _database_code_amcsd 0010252 _chemical_formula_sum 'K Ti3 P6 Si2 O25' _cell_length_a 8.2648 _cell_length_b 8.2648 _cell_length_c 17.03799 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1007.891 _exptl_crystal_density_diffrn 2.718 _symmetry_space_group_name_H-M 'P -3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' 'y,-x+y,-z' '-y,-x,1/2-z' '-x+y,-x,z' '-x,-x+y,1/2+z' '-x,-y,-z' '-x+y,y,1/2-z' '-y,x-y,z' 'y,x,1/2+z' 'x-y,x,-z' 'x,x-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.33333 0.66667 0.25000 Ti1 0.33333 0.66667 0.02516 Ti2 0.66667 0.33333 0.25000 P1 0.38255 0.33150 0.11022 Si1 0.00000 0.00000 0.09281 O1 0.11900 0.59910 0.09530 O2 0.81320 0.25660 0.45760 O3 0.47840 0.33860 0.18650 O4 0.00000 0.00000 0.00000 O5 0.02350 0.83100 0.12640