data_global _chemical_name_mineral 'Biphosphammite' loop_ _publ_author_name 'Khan A A' 'Baur W H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 2721 _journal_page_last 2726 _publ_section_title ; Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADP ; _database_code_amcsd 0009493 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'P N O4 H6' _cell_length_a 7.4997 _cell_length_b 7.4997 _cell_length_c 7.5494 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 424.620 _exptl_crystal_density_diffrn 1.799 _symmetry_space_group_name_H-M 'I -4 2 d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-y,-x,3/4+z' '-y,1/2-x,1/4+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,1/2+y,1/4-z' '1/2-x,+y,3/4-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv P 0.00000 0.00000 0.00000 1.00000 ? N 0.00000 0.00000 0.50000 1.00000 ? O 0.08430 0.14660 0.11510 1.00000 ? H(n) -0.00200 0.08900 0.56300 1.00000 0.03546 H(o) 0.25000 0.15000 0.12500 0.50000 0.06333 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 P 0.01567 0.01567 0.02425 0.00000 0.00000 0.00000 N 0.03134 0.03134 0.02541 0.00000 0.00000 0.00000 O 0.02137 0.02365 0.03407 0.00370 -0.00631 -0.01061