data_global _amcsd_formula_title 'Cu H3 O5 P' loop_ _publ_author_name 'Boudjada A' _journal_name_full 'Materials Research Bulletin' _journal_volume 15 _journal_year 1980 _journal_page_first 1083 _journal_page_last 1090 _publ_section_title ; Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O4) (H2 O) _cod_database_code 1008247 ; _database_code_amcsd 0016169 _chemical_formula_sum 'Cu P O5' _cell_length_a 8.606 _cell_length_b 6.346 _cell_length_c 6.811 _cell_angle_alpha 90 _cell_angle_beta 94.16 _cell_angle_gamma 90 _cell_volume 370.994 _exptl_crystal_density_diffrn 3.124 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.00000 0.00000 0.00000 Cu2 0.00000 0.00000 0.50000 P1 0.23490 0.29890 0.22500 O1 0.13380 0.10270 0.22300 O2 0.34090 0.29720 0.05550 O3 0.32230 0.32110 0.42600 O4 0.12270 0.49600 0.19180 O5 0.41250 0.73380 0.32340