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 10-coordinate geometry to one H(2), one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one K(1), one O(5), and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(6) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to two equivalent O(8) atoms. In the fifth H site, H(5) is bonded in a linear geometry to two equivalent O(1) atoms. 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(1), one K(2), one P(2), and one H(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one K(1), one P(2), one H(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(1), one K(2), one P(1), and one H(3) 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(1), and one H(4) 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   7.070
_cell_length_b   7.305
_cell_length_c   7.391
_cell_angle_alpha   88.083
_cell_angle_beta   86.926
_cell_angle_gamma   87.802
_symmetry_Int_Tables_number   1
_cell_volume   380.675
_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  0.070  0.820  0.694  1.0
  K  K1  1  0.930  0.180  0.306  1.0
  K  K2  1  0.640  0.248  0.796  1.0
  K  K3  1  0.360  0.752  0.204  1.0
  P  P4  1  0.573  0.752  0.699  1.0
  P  P5  1  0.427  0.248  0.301  1.0
  P  P6  1  0.114  0.275  0.792  1.0
  P  P7  1  0.886  0.725  0.208  1.0
  H  H8  1  0.274  0.127  0.005  1.0
  H  H9  1  0.349  0.563  0.797  1.0
  H  H10  1  0.722  0.582  0.485  1.0
  H  H11  1  0.278  0.418  0.515  1.0
  H  H12  1  0.651  0.437  0.203  1.0
  H  H13  1  0.500  0.000  0.500  1.0
  H  H14  1  0.726  0.873  0.995  1.0
  H  H15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.012  0.655  0.046  1.0
  O  O17  1  0.988  0.345  0.954  1.0
  O  O18  1  0.308  0.120  0.207  1.0
  O  O19  1  0.996  0.810  0.348  1.0
  O  O20  1  0.004  0.190  0.652  1.0
  O  O21  1  0.747  0.879  0.129  1.0
  O  O22  1  0.253  0.121  0.871  1.0
  O  O23  1  0.692  0.880  0.793  1.0
  O  O24  1  0.429  0.666  0.843  1.0
  O  O25  1  0.764  0.568  0.288  1.0
  O  O26  1  0.236  0.432  0.712  1.0
  O  O27  1  0.692  0.585  0.623  1.0
  O  O28  1  0.571  0.334  0.157  1.0
  O  O29  1  0.536  0.155  0.455  1.0
  O  O30  1  0.464  0.845  0.545  1.0
  O  O31  1  0.308  0.415  0.377  1.0
[/CIF]
.
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 10-coordinate geometry to one H(2), one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one K(1), one O(5), and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(6) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to two equivalent O(8) atoms. In the fifth H site, H(5) is bonded in a linear geometry to two equivalent O(1) atoms. 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(1), one K(2), one P(2), and one H(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one K(1), one P(2), one H(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(1), one K(2), one P(1), and one H(3) 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(1), and one H(4) 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   7.070
_cell_length_b   7.305
_cell_length_c   7.391
_cell_angle_alpha   88.083
_cell_angle_beta   86.926
_cell_angle_gamma   87.802
_symmetry_Int_Tables_number   1
_cell_volume   380.675
_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  0.070  0.820  0.694  1.0
  K  K1  1  0.930  0.180  0.306  1.0
  K  K2  1  0.640  0.248  0.796  1.0
  K  K3  1  0.360  0.752  0.204  1.0
  P  P4  1  0.573  0.752  0.699  1.0
  P  P5  1  0.427  0.248  0.301  1.0
  P  P6  1  0.114  0.275  0.792  1.0
  P  P7  1  0.886  0.725  0.208  1.0
  H  H8  1  0.274  0.127  0.005  1.0
  H  H9  1  0.349  0.563  0.797  1.0
  H  H10  1  0.722  0.582  0.485  1.0
  H  H11  1  0.278  0.418  0.515  1.0
  H  H12  1  0.651  0.437  0.203  1.0
  H  H13  1  0.500  0.000  0.500  1.0
  H  H14  1  0.726  0.873  0.995  1.0
  H  H15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.012  0.655  0.046  1.0
  O  O17  1  0.988  0.345  0.954  1.0
  O  O18  1  0.308  0.120  0.207  1.0
  O  O19  1  0.996  0.810  0.348  1.0
  O  O20  1  0.004  0.190  0.652  1.0
  O  O21  1  0.747  0.879  0.129  1.0
  O  O22  1  0.253  0.121  0.871  1.0
  O  O23  1  0.692  0.880  0.793  1.0
  O  O24  1  0.429  0.666  0.843  1.0
  O  O25  1  0.764  0.568  0.288  1.0
  O  O26  1  0.236  0.432  0.712  1.0
  O  O27  1  0.692  0.585  0.623  1.0
  O  O28  1  0.571  0.334  0.157  1.0
  O  O29  1  0.536  0.155  0.455  1.0
  O  O30  1  0.464  0.845  0.545  1.0
  O  O31  1  0.308  0.415  0.377  1.0
[/CIF]
.