# 2021-11-08 19:27:33 EET
data_10938
loop_
_publ_author_name
'Baur W H'
_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
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2726
_journal_page_last               2731
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'N H6 P O4'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4997
_cell_length_b                   7.4997
_cell_length_c                   7.5493
_cell_volume                     424.614
_database_code_amcsd             0009496
_exptl_crystal_density_diffrn    1.799
#BEGIN Tags that were not found in dictionaries:
_amcsd_formula_title             NH4H2PO4
#END Tags that were not found in dictionaries
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
