data_global _amcsd_formula_title 'KH2PO4' loop_ _publ_author_name 'Baur W H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 2726 _journal_page_last 2731 _publ_section_title ; Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite ; _database_code_amcsd 0009495 _chemical_formula_sum 'K P O4 H2' _cell_length_a 7.434 _cell_length_b 7.434 _cell_length_c 6.945 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 383.811 _exptl_crystal_density_diffrn 2.355 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K 0.00000 0.00000 0.50000 P 0.00000 0.00000 0.00000 O1 0.08970 0.15150 0.12560 O2 0.15570 0.91810 0.87430 O3 0.92620 0.85680 0.13030 O4 0.86180 0.08310 0.86990 H1 0.23200 0.14600 0.12800 H2 0.14600 0.77600 0.88200