The material described by KH2PO4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one H(1), one H(2), one H(3), one O(1), one O(2), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one K(2), one O(1), and one O(8) atom. In the second H site, H(2) is bonded in a linear geometry to one K(2), one O(3), and one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one K(2), one O(4), and one O(6) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), 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 one K(2), one P(1), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent K(2), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2), two equivalent K(1), one P(2), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(1) 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   6.825
_cell_length_b   7.354
_cell_length_c   7.904
_cell_angle_alpha   86.884
_cell_angle_beta   83.623
_cell_angle_gamma   87.199
_symmetry_Int_Tables_number   1
_cell_volume   393.302
_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  0.791  0.832  0.065  1.0
  K  K1  1  0.209  0.168  0.935  1.0
  K  K2  1  0.196  0.333  0.403  1.0
  K  K3  1  0.804  0.667  0.597  1.0
  P  P4  1  0.321  0.841  0.354  1.0
  P  P5  1  0.679  0.159  0.646  1.0
  P  P6  1  0.742  0.347  0.138  1.0
  P  P7  1  0.258  0.653  0.862  1.0
  H  H8  1  0.610  0.577  0.316  1.0
  H  H9  1  0.390  0.423  0.684  1.0
  H  H10  1  0.163  0.674  0.189  1.0
  H  H11  1  0.837  0.326  0.811  1.0
  H  H12  1  0.492  0.148  0.183  1.0
  H  H13  1  0.508  0.852  0.817  1.0
  H  H14  1  0.807  0.103  0.377  1.0
  H  H15  1  0.193  0.897  0.623  1.0
  O  O16  1  0.474  0.698  0.409  1.0
  O  O17  1  0.526  0.302  0.591  1.0
  O  O18  1  0.238  0.962  0.508  1.0
  O  O19  1  0.762  0.038  0.492  1.0
  O  O20  1  0.132  0.741  0.308  1.0
  O  O21  1  0.868  0.259  0.692  1.0
  O  O22  1  0.394  0.970  0.205  1.0
  O  O23  1  0.606  0.030  0.795  1.0
  O  O24  1  0.804  0.423  0.958  1.0
  O  O25  1  0.196  0.577  0.042  1.0
  O  O26  1  0.520  0.284  0.154  1.0
  O  O27  1  0.480  0.716  0.846  1.0
  O  O28  1  0.878  0.189  0.198  1.0
  O  O29  1  0.122  0.811  0.802  1.0
  O  O30  1  0.741  0.508  0.263  1.0
  O  O31  1  0.259  0.492  0.737  1.0
[/CIF]
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The material described by KH2PO4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one H(1), one H(2), one H(3), one O(1), one O(2), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one K(2), one O(1), and one O(8) atom. In the second H site, H(2) is bonded in a linear geometry to one K(2), one O(3), and one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one K(2), one O(4), and one O(6) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), 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 one K(2), one P(1), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent K(2), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2), two equivalent K(1), one P(2), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(1) 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   6.825
_cell_length_b   7.354
_cell_length_c   7.904
_cell_angle_alpha   86.884
_cell_angle_beta   83.623
_cell_angle_gamma   87.199
_symmetry_Int_Tables_number   1
_cell_volume   393.302
_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  0.791  0.832  0.065  1.0
  K  K1  1  0.209  0.168  0.935  1.0
  K  K2  1  0.196  0.333  0.403  1.0
  K  K3  1  0.804  0.667  0.597  1.0
  P  P4  1  0.321  0.841  0.354  1.0
  P  P5  1  0.679  0.159  0.646  1.0
  P  P6  1  0.742  0.347  0.138  1.0
  P  P7  1  0.258  0.653  0.862  1.0
  H  H8  1  0.610  0.577  0.316  1.0
  H  H9  1  0.390  0.423  0.684  1.0
  H  H10  1  0.163  0.674  0.189  1.0
  H  H11  1  0.837  0.326  0.811  1.0
  H  H12  1  0.492  0.148  0.183  1.0
  H  H13  1  0.508  0.852  0.817  1.0
  H  H14  1  0.807  0.103  0.377  1.0
  H  H15  1  0.193  0.897  0.623  1.0
  O  O16  1  0.474  0.698  0.409  1.0
  O  O17  1  0.526  0.302  0.591  1.0
  O  O18  1  0.238  0.962  0.508  1.0
  O  O19  1  0.762  0.038  0.492  1.0
  O  O20  1  0.132  0.741  0.308  1.0
  O  O21  1  0.868  0.259  0.692  1.0
  O  O22  1  0.394  0.970  0.205  1.0
  O  O23  1  0.606  0.030  0.795  1.0
  O  O24  1  0.804  0.423  0.958  1.0
  O  O25  1  0.196  0.577  0.042  1.0
  O  O26  1  0.520  0.284  0.154  1.0
  O  O27  1  0.480  0.716  0.846  1.0
  O  O28  1  0.878  0.189  0.198  1.0
  O  O29  1  0.122  0.811  0.802  1.0
  O  O30  1  0.741  0.508  0.263  1.0
  O  O31  1  0.259  0.492  0.737  1.0
[/CIF]
.