data_global
_amcsd_formula_title 'NH4H2PO4'
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: polymorph of biphosphammite
;
_database_code_amcsd 0009496
_chemical_formula_sum 'N H6 P O4'
_cell_length_a 7.4997
_cell_length_b 7.4997
_cell_length_c 7.5493
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 424.614
_exptl_crystal_density_diffrn      1.799
_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
N   0.00000   0.00000   0.50000
Hn1   0.01400   0.11100   0.57300
Hn2   0.98600   0.88900   0.57300
Hn3   0.88900   0.01400   0.42700
Hn4   0.11100   0.98600   0.42700
P   0.00000   0.00000   0.00000
O(h1)   0.09180   0.14710   0.11740
O(h2)   0.15250   0.91810   0.88230
O3   0.92530   0.85730   0.11820
O4   0.86370   0.08630   0.88230
H(o1)   0.23300   0.14800   0.13000
H(o2)   0.14200   0.77700   0.88100