The material described by NH4H2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight ammonium molecules inside a H2PO4 framework. In the H2PO4 framework, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the CIF file [CIF]
data_PH6NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.523
_cell_length_b   6.601
_cell_length_c   6.563
_cell_angle_alpha   69.709
_cell_angle_beta   55.384
_cell_angle_gamma   54.907
_symmetry_Int_Tables_number   1
_cell_volume   219.380
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  P  P0  1  0.241  0.259  0.259  1.0
  P  P1  1  0.991  0.009  0.009  1.0
  H  H2  1  0.844  0.560  0.787  1.0
  H  H3  1  0.409  0.463  0.687  1.0
  H  H4  1  0.809  0.787  0.560  1.0
  H  H5  1  0.441  0.687  0.463  1.0
  H  H6  1  0.563  0.809  0.841  1.0
  H  H7  1  0.690  0.406  0.441  1.0
  H  H8  1  0.787  0.841  0.809  1.0
  H  H9  1  0.463  0.441  0.406  1.0
  H  H10  1  0.597  0.986  0.270  1.0
  H  H11  1  0.147  0.270  0.986  1.0
  H  H12  1  0.264  0.653  0.103  1.0
  H  H13  1  0.980  0.103  0.653  1.0
  N  N14  1  0.751  0.749  0.749  1.0
  N  N15  1  0.501  0.499  0.499  1.0
  O  O16  1  0.447  0.989  0.285  1.0
  O  O17  1  0.801  0.964  0.262  1.0
  O  O18  1  0.279  0.285  0.989  1.0
  O  O19  1  0.973  0.262  0.964  1.0
  O  O20  1  0.988  0.277  0.449  1.0
  O  O21  1  0.261  0.803  0.971  1.0
  O  O22  1  0.286  0.449  0.277  1.0
  O  O23  1  0.965  0.971  0.803  1.0
[/CIF]
.
The material described by NH4H2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight ammonium molecules inside a H2PO4 framework. In the H2PO4 framework, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the CIF file [CIF]
data_PH6NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.523
_cell_length_b   6.601
_cell_length_c   6.563
_cell_angle_alpha   69.709
_cell_angle_beta   55.384
_cell_angle_gamma   54.907
_symmetry_Int_Tables_number   1
_cell_volume   219.380
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  P  P0  1  0.241  0.259  0.259  1.0
  P  P1  1  0.991  0.009  0.009  1.0
  H  H2  1  0.844  0.560  0.787  1.0
  H  H3  1  0.409  0.463  0.687  1.0
  H  H4  1  0.809  0.787  0.560  1.0
  H  H5  1  0.441  0.687  0.463  1.0
  H  H6  1  0.563  0.809  0.841  1.0
  H  H7  1  0.690  0.406  0.441  1.0
  H  H8  1  0.787  0.841  0.809  1.0
  H  H9  1  0.463  0.441  0.406  1.0
  H  H10  1  0.597  0.986  0.270  1.0
  H  H11  1  0.147  0.270  0.986  1.0
  H  H12  1  0.264  0.653  0.103  1.0
  H  H13  1  0.980  0.103  0.653  1.0
  N  N14  1  0.751  0.749  0.749  1.0
  N  N15  1  0.501  0.499  0.499  1.0
  O  O16  1  0.447  0.989  0.285  1.0
  O  O17  1  0.801  0.964  0.262  1.0
  O  O18  1  0.279  0.285  0.989  1.0
  O  O19  1  0.973  0.262  0.964  1.0
  O  O20  1  0.988  0.277  0.449  1.0
  O  O21  1  0.261  0.803  0.971  1.0
  O  O22  1  0.286  0.449  0.277  1.0
  O  O23  1  0.965  0.971  0.803  1.0
[/CIF]
.