data_global _amcsd_formula_title 'Cs(MoO)P2O7' loop_ _publ_author_name 'Guesdon A' 'Borel M' 'Leclaire A' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 108 _journal_year 1994 _journal_page_first 46 _journal_page_last 50 _publ_section_title ; A molybdenum (V) diphosphate closely related to the alpha-NaTiP2O7 structure: Cs(MoO)P2O7 _cod_database_code 1001618 ; _database_code_amcsd 0013789 _chemical_formula_sum 'Mo Cs P2 O8' _cell_length_a 5.1340 _cell_length_b 11.707 _cell_length_c 12.063 _cell_angle_alpha 90 _cell_angle_beta 91.77 _cell_angle_gamma 90 _cell_volume 724.685 _exptl_crystal_density_diffrn 3.838 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,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 Mo1 0.23650 0.04536 0.18973 Cs1 0.76880 0.33667 0.05123 P1 0.76460 0.16680 0.31010 P2 0.77810 0.39720 0.41850 O1 0.23800 -0.03620 0.30290 O2 0.02600 0.17500 0.25420 O3 0.55100 0.13790 0.22330 O4 -0.09700 -0.00830 0.11640 O5 0.44000 -0.07170 0.10000 O6 0.24700 0.14550 0.03390 O7 0.76300 0.09890 0.41190 O8 0.69900 0.29860 0.33410