The material described by KH2PO4 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 12-coordinate geometry to two equivalent H(1), four equivalent O(2), and six equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent K(1) and two equivalent O(1) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.591
_cell_length_b   7.591
_cell_length_c   4.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.441
_symmetry_Int_Tables_number   1
_cell_volume   195.486
_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
  K  K0  1  0.877  0.123  0.250  1.0
  K  K1  1  0.123  0.877  0.750  1.0
  P  P2  1  0.630  0.370  0.250  1.0
  P  P3  1  0.370  0.630  0.750  1.0
  H  H4  1  0.321  0.321  0.000  1.0
  H  H5  1  0.679  0.679  0.500  1.0
  H  H6  1  0.692  0.308  0.750  1.0
  H  H7  1  0.308  0.692  0.250  1.0
  O  O8  1  0.365  0.234  0.170  1.0
  O  O9  1  0.234  0.365  0.830  1.0
  O  O10  1  0.635  0.766  0.670  1.0
  O  O11  1  0.766  0.635  0.330  1.0
  O  O12  1  0.624  0.233  0.506  1.0
  O  O13  1  0.233  0.624  0.494  1.0
  O  O14  1  0.376  0.767  0.006  1.0
  O  O15  1  0.767  0.376  0.994  1.0
[/CIF]
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The material described by KH2PO4 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 12-coordinate geometry to two equivalent H(1), four equivalent O(2), and six equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent K(1) and two equivalent O(1) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.591
_cell_length_b   7.591
_cell_length_c   4.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.441
_symmetry_Int_Tables_number   1
_cell_volume   195.486
_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
  K  K0  1  0.877  0.123  0.250  1.0
  K  K1  1  0.123  0.877  0.750  1.0
  P  P2  1  0.630  0.370  0.250  1.0
  P  P3  1  0.370  0.630  0.750  1.0
  H  H4  1  0.321  0.321  0.000  1.0
  H  H5  1  0.679  0.679  0.500  1.0
  H  H6  1  0.692  0.308  0.750  1.0
  H  H7  1  0.308  0.692  0.250  1.0
  O  O8  1  0.365  0.234  0.170  1.0
  O  O9  1  0.234  0.365  0.830  1.0
  O  O10  1  0.635  0.766  0.670  1.0
  O  O11  1  0.766  0.635  0.330  1.0
  O  O12  1  0.624  0.233  0.506  1.0
  O  O13  1  0.233  0.624  0.494  1.0
  O  O14  1  0.376  0.767  0.006  1.0
  O  O15  1  0.767  0.376  0.994  1.0
[/CIF]
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