data_global _amcsd_formula_title 'Cs2 H2 O7 P2' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences' _journal_volume 316 _journal_year 1993 _journal_page_first 41 _journal_page_last 46 _publ_section_title ; Synthese et structure cristalline du dihydrogenodiphosphate de caesium _cod_database_code 1007211 ; _database_code_amcsd 0012309 _chemical_formula_sum 'Cs2 P2 O7 H2' _cell_length_a 7.977 _cell_length_b 9.064 _cell_length_c 11.406 _cell_angle_alpha 90 _cell_angle_beta 90.29 _cell_angle_gamma 90 _cell_volume 824.683 _exptl_crystal_density_diffrn 3.558 _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 Cs1 0.50564 0.22636 0.52044 P1 0.31530 0.51410 0.76304 O1 0.70720 0.10040 0.19290 O2 0.22530 0.98320 0.11030 O3 0.80970 0.84260 0.19690 O4 0.00000 0.05750 0.25000 H1 0.69000 0.20000 0.23700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cs1 0.02333 0.02970 0.02219 -0.00500 0.00066 -0.00080 P1 0.01810 0.01420 0.01630 0.00110 0.00110 0.00020 O1 0.03000 0.02500 0.02400 0.00700 -0.00500 0.00000 O2 0.03900 0.02900 0.01900 0.00500 0.00600 -0.00200 O3 0.03500 0.01600 0.02800 -0.00400 0.00100 -0.00600 O4 0.01700 0.01600 0.05000 0.00000 0.00700 0.00000