data_global _amcsd_formula_title 'K2Mo2O4P2O7' loop_ _publ_author_name 'Guesdon A' 'Leclaire A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 114 _journal_year 1995 _journal_page_first 481 _journal_page_last 485 _publ_section_title ; A molybdenum(V) diphosphate with a tunnel structure: beta-K2Mo2O4P2O7 _cod_database_code 1001642 ; _database_code_amcsd 0013837 _chemical_formula_sum 'K2 Mo2 P2 O11' _cell_length_a 9.314 _cell_length_b 8.8679 _cell_length_c 10.954 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 904.752 _exptl_crystal_density_diffrn 3.730 _symmetry_space_group_name_H-M 'P b c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-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 K1 0.29540 -0.00970 0.41230 Mo1 0.07834 0.23067 0.15380 P1 0.43020 0.32330 0.12730 O1 0.08040 0.42100 0.13770 O2 0.12620 0.20220 0.32340 O3 0.04940 0.20050 -0.03450 O4 0.30050 0.22460 0.10270 O5 0.10800 -0.01440 0.14430 O6 0.50000 0.25900 0.25000