data_global _amcsd_formula_title 'Cu2P2O7' loop_ _publ_author_name 'Effenberger H' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 691 _journal_page_last 692 _publ_section_title ; Structural refinement of low-temperature copper(II) pyrophosphate ; _database_code_amcsd 0010124 _chemical_formula_sum 'Cu2 P2 O7' _cell_length_a 6.895 _cell_length_b 8.113 _cell_length_c 9.164 _cell_angle_alpha 90 _cell_angle_beta 109.62 _cell_angle_gamma 90 _cell_volume 482.863 _exptl_crystal_density_diffrn 4.141 _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_U_iso_or_equiv Cu -0.01814 0.31288 0.50706 0.01030 P 0.19754 0.00750 0.20566 0.00750 O1 0.00000 0.04660 0.25000 0.02600 O2 0.37570 0.00020 0.36140 0.00930 O3c 0.22080 0.15590 0.11280 0.01120 O3t 0.17850 -0.15080 0.11790 0.01620