The compound described by KH2PO4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) 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(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(3) 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   4.560
_cell_length_b   6.201
_cell_length_c   14.486
_cell_angle_alpha   87.968
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.302
_cell_formula_units_Z   4
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  0.988  0.767  0.866  1.0
  K  K1  1  0.488  0.233  0.634  1.0
  K  K2  1  0.012  0.233  0.134  1.0
  K  K3  1  0.512  0.767  0.366  1.0
  P  P4  1  0.963  0.739  0.625  1.0
  P  P5  1  0.463  0.261  0.875  1.0
  P  P6  1  0.037  0.261  0.375  1.0
  P  P7  1  0.537  0.739  0.125  1.0
  H  H8  1  0.000  0.000  0.500  1.0
  H  H9  1  0.500  0.000  0.000  1.0
  H  H10  1  0.494  0.739  0.684  1.0
  H  H11  1  0.994  0.261  0.816  1.0
  H  H12  1  0.506  0.261  0.316  1.0
  H  H13  1  0.006  0.739  0.184  1.0
  H  H14  1  0.000  0.500  0.500  1.0
  H  H15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.799  0.664  0.190  1.0
  O  O17  1  0.299  0.336  0.310  1.0
  O  O18  1  0.201  0.336  0.810  1.0
  O  O19  1  0.701  0.664  0.690  1.0
  O  O20  1  0.667  0.904  0.052  1.0
  O  O21  1  0.167  0.096  0.448  1.0
  O  O22  1  0.333  0.096  0.948  1.0
  O  O23  1  0.833  0.904  0.552  1.0
  O  O24  1  0.295  0.837  0.183  1.0
  O  O25  1  0.795  0.163  0.317  1.0
  O  O26  1  0.705  0.163  0.817  1.0
  O  O27  1  0.205  0.837  0.683  1.0
  O  O28  1  0.422  0.534  0.077  1.0
  O  O29  1  0.922  0.466  0.423  1.0
  O  O30  1  0.578  0.466  0.923  1.0
  O  O31  1  0.078  0.534  0.577  1.0
[/CIF]
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The compound described by KH2PO4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) 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(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(3) 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   4.560
_cell_length_b   6.201
_cell_length_c   14.486
_cell_angle_alpha   87.968
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.302
_cell_formula_units_Z   4
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  0.988  0.767  0.866  1.0
  K  K1  1  0.488  0.233  0.634  1.0
  K  K2  1  0.012  0.233  0.134  1.0
  K  K3  1  0.512  0.767  0.366  1.0
  P  P4  1  0.963  0.739  0.625  1.0
  P  P5  1  0.463  0.261  0.875  1.0
  P  P6  1  0.037  0.261  0.375  1.0
  P  P7  1  0.537  0.739  0.125  1.0
  H  H8  1  0.000  0.000  0.500  1.0
  H  H9  1  0.500  0.000  0.000  1.0
  H  H10  1  0.494  0.739  0.684  1.0
  H  H11  1  0.994  0.261  0.816  1.0
  H  H12  1  0.506  0.261  0.316  1.0
  H  H13  1  0.006  0.739  0.184  1.0
  H  H14  1  0.000  0.500  0.500  1.0
  H  H15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.799  0.664  0.190  1.0
  O  O17  1  0.299  0.336  0.310  1.0
  O  O18  1  0.201  0.336  0.810  1.0
  O  O19  1  0.701  0.664  0.690  1.0
  O  O20  1  0.667  0.904  0.052  1.0
  O  O21  1  0.167  0.096  0.448  1.0
  O  O22  1  0.333  0.096  0.948  1.0
  O  O23  1  0.833  0.904  0.552  1.0
  O  O24  1  0.295  0.837  0.183  1.0
  O  O25  1  0.795  0.163  0.317  1.0
  O  O26  1  0.705  0.163  0.817  1.0
  O  O27  1  0.205  0.837  0.683  1.0
  O  O28  1  0.422  0.534  0.077  1.0
  O  O29  1  0.922  0.466  0.423  1.0
  O  O30  1  0.578  0.466  0.923  1.0
  O  O31  1  0.078  0.534  0.577  1.0
[/CIF]
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