The material structure described by KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one H(1), one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent F(1) 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 one K(1), one O(4), and one F(1) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(1), one P(1), and one H(3) 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. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the CIF file [CIF]
data_KPH3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   7.498
_cell_length_c   9.372
_cell_angle_alpha   90.000
_cell_angle_beta   101.211
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.569
_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  0.846  0.275  0.953  1.0
  K  K1  1  0.154  0.775  0.547  1.0
  K  K2  1  0.154  0.725  0.047  1.0
  K  K3  1  0.846  0.225  0.453  1.0
  P  P4  1  0.617  0.794  0.831  1.0
  P  P5  1  0.383  0.294  0.669  1.0
  P  P6  1  0.383  0.206  0.169  1.0
  P  P7  1  0.617  0.706  0.331  1.0
  H  H8  1  0.899  0.979  0.766  1.0
  H  H9  1  0.101  0.479  0.734  1.0
  H  H10  1  0.101  0.021  0.234  1.0
  H  H11  1  0.899  0.521  0.266  1.0
  H  H12  1  0.395  0.018  0.839  1.0
  H  H13  1  0.605  0.518  0.661  1.0
  H  H14  1  0.605  0.982  0.161  1.0
  H  H15  1  0.395  0.482  0.339  1.0
  H  H16  1  0.371  0.173  0.461  1.0
  H  H17  1  0.629  0.673  0.039  1.0
  H  H18  1  0.629  0.827  0.539  1.0
  H  H19  1  0.371  0.327  0.961  1.0
  O  O20  1  0.641  0.632  0.938  1.0
  O  O21  1  0.401  0.617  0.350  1.0
  O  O22  1  0.599  0.383  0.650  1.0
  O  O23  1  0.401  0.883  0.850  1.0
  O  O24  1  0.594  0.780  0.179  1.0
  O  O25  1  0.406  0.280  0.321  1.0
  O  O26  1  0.406  0.220  0.821  1.0
  O  O27  1  0.594  0.720  0.679  1.0
  O  O28  1  0.801  0.577  0.372  1.0
  O  O29  1  0.199  0.077  0.128  1.0
  O  O30  1  0.199  0.423  0.628  1.0
  O  O31  1  0.801  0.923  0.872  1.0
  O  O32  1  0.359  0.368  0.062  1.0
  O  O33  1  0.641  0.868  0.438  1.0
  O  O34  1  0.599  0.117  0.150  1.0
  O  O35  1  0.359  0.132  0.562  1.0
  F  F36  1  0.972  0.030  0.686  1.0
  F  F37  1  0.028  0.530  0.814  1.0
  F  F38  1  0.028  0.970  0.314  1.0
  F  F39  1  0.972  0.470  0.186  1.0
[/CIF]
.
The material structure described by KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one H(1), one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent F(1) 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 one K(1), one O(4), and one F(1) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(1), one P(1), and one H(3) 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. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the CIF file [CIF]
data_KPH3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   7.498
_cell_length_c   9.372
_cell_angle_alpha   90.000
_cell_angle_beta   101.211
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.569
_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  0.846  0.275  0.953  1.0
  K  K1  1  0.154  0.775  0.547  1.0
  K  K2  1  0.154  0.725  0.047  1.0
  K  K3  1  0.846  0.225  0.453  1.0
  P  P4  1  0.617  0.794  0.831  1.0
  P  P5  1  0.383  0.294  0.669  1.0
  P  P6  1  0.383  0.206  0.169  1.0
  P  P7  1  0.617  0.706  0.331  1.0
  H  H8  1  0.899  0.979  0.766  1.0
  H  H9  1  0.101  0.479  0.734  1.0
  H  H10  1  0.101  0.021  0.234  1.0
  H  H11  1  0.899  0.521  0.266  1.0
  H  H12  1  0.395  0.018  0.839  1.0
  H  H13  1  0.605  0.518  0.661  1.0
  H  H14  1  0.605  0.982  0.161  1.0
  H  H15  1  0.395  0.482  0.339  1.0
  H  H16  1  0.371  0.173  0.461  1.0
  H  H17  1  0.629  0.673  0.039  1.0
  H  H18  1  0.629  0.827  0.539  1.0
  H  H19  1  0.371  0.327  0.961  1.0
  O  O20  1  0.641  0.632  0.938  1.0
  O  O21  1  0.401  0.617  0.350  1.0
  O  O22  1  0.599  0.383  0.650  1.0
  O  O23  1  0.401  0.883  0.850  1.0
  O  O24  1  0.594  0.780  0.179  1.0
  O  O25  1  0.406  0.280  0.321  1.0
  O  O26  1  0.406  0.220  0.821  1.0
  O  O27  1  0.594  0.720  0.679  1.0
  O  O28  1  0.801  0.577  0.372  1.0
  O  O29  1  0.199  0.077  0.128  1.0
  O  O30  1  0.199  0.423  0.628  1.0
  O  O31  1  0.801  0.923  0.872  1.0
  O  O32  1  0.359  0.368  0.062  1.0
  O  O33  1  0.641  0.868  0.438  1.0
  O  O34  1  0.599  0.117  0.150  1.0
  O  O35  1  0.359  0.132  0.562  1.0
  F  F36  1  0.972  0.030  0.686  1.0
  F  F37  1  0.028  0.530  0.814  1.0
  F  F38  1  0.028  0.970  0.314  1.0
  F  F39  1  0.972  0.470  0.186  1.0
[/CIF]
.