data_global _amcsd_formula_title 'K0.58 O7 P2 Ti' loop_ _publ_author_name 'Leclaire A' 'Chardon' 'Borel M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 109 _journal_year 1994 _journal_page_first 83 _journal_page_last 87 _publ_section_title ; A mixed valent titanium diphosphate with an intersecting tunnel structure K0.58TiP2O7 _cod_database_code 1001621 ; _database_code_amcsd 0013797 _chemical_formula_sum 'Ti2 P4 K1.08 O14' _cell_length_a 17.85199 _cell_length_b 6.298 _cell_length_c 12.181 _cell_angle_alpha 90 _cell_angle_beta 119.73 _cell_angle_gamma 90 _cell_volume 1189.263 _exptl_crystal_density_diffrn 2.714 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 0.36879 0.10290 0.28040 1.00000 P1 0.41330 0.11140 0.04630 1.00000 P2 0.15340 0.11550 0.16860 1.00000 K1 0.27010 0.33100 0.50910 0.50000 K2 0.00000 0.11000 0.25000 0.08000 O1 0.24430 0.11200 0.18810 1.00000 O2 0.35930 -0.21000 0.25530 1.00000 O3 0.36480 0.14100 0.11770 1.00000 O4 0.49310 0.06800 0.36830 1.00000 O5 0.37750 0.40800 0.31010 1.00000 O6 0.36880 0.05600 0.44420 1.00000 O7 0.09230 0.16700 0.02200 1.00000