The structure described by KLiPH2O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and one F(1) atom. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent P(1)O3F tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(1) atom. F(1) is bonded in a distorted single-bond geometry to one K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KLiPH2O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   5.490
_cell_length_c   12.570
_cell_angle_alpha   71.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.533
_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  0.725  0.676  0.653  1.0
  K  K1  1  0.225  0.324  0.847  1.0
  K  K2  1  0.275  0.324  0.347  1.0
  K  K3  1  0.775  0.676  0.153  1.0
  Li  Li4  1  0.541  0.819  0.364  1.0
  Li  Li5  1  0.041  0.181  0.136  1.0
  Li  Li6  1  0.459  0.181  0.636  1.0
  Li  Li7  1  0.959  0.819  0.864  1.0
  P  P8  1  0.774  0.262  0.947  1.0
  P  P9  1  0.274  0.738  0.553  1.0
  P  P10  1  0.226  0.738  0.053  1.0
  P  P11  1  0.726  0.262  0.447  1.0
  H  H12  1  0.583  0.153  0.162  1.0
  H  H13  1  0.083  0.847  0.338  1.0
  H  H14  1  0.417  0.847  0.838  1.0
  H  H15  1  0.917  0.153  0.662  1.0
  H  H16  1  0.392  0.041  0.158  1.0
  H  H17  1  0.892  0.959  0.342  1.0
  H  H18  1  0.608  0.959  0.842  1.0
  H  H19  1  0.108  0.041  0.658  1.0
  O  O20  1  0.782  0.004  0.925  1.0
  O  O21  1  0.282  0.996  0.575  1.0
  O  O22  1  0.218  0.996  0.075  1.0
  O  O23  1  0.718  0.004  0.425  1.0
  O  O24  1  0.876  0.476  0.864  1.0
  O  O25  1  0.376  0.524  0.636  1.0
  O  O26  1  0.124  0.524  0.136  1.0
  O  O27  1  0.624  0.476  0.364  1.0
  O  O28  1  0.799  0.239  0.071  1.0
  O  O29  1  0.299  0.761  0.429  1.0
  O  O30  1  0.201  0.761  0.929  1.0
  O  O31  1  0.701  0.239  0.571  1.0
  O  O32  1  0.486  0.061  0.210  1.0
  O  O33  1  0.986  0.939  0.290  1.0
  O  O34  1  0.514  0.939  0.790  1.0
  O  O35  1  0.014  0.061  0.710  1.0
  F  F36  1  0.569  0.345  0.923  1.0
  F  F37  1  0.069  0.655  0.577  1.0
  F  F38  1  0.431  0.655  0.077  1.0
  F  F39  1  0.931  0.345  0.423  1.0
[/CIF]
.
The structure described by KLiPH2O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and one F(1) atom. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent P(1)O3F tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one H(1), and one H(2) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(1) atom. F(1) is bonded in a distorted single-bond geometry to one K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KLiPH2O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   5.490
_cell_length_c   12.570
_cell_angle_alpha   71.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.533
_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  0.725  0.676  0.653  1.0
  K  K1  1  0.225  0.324  0.847  1.0
  K  K2  1  0.275  0.324  0.347  1.0
  K  K3  1  0.775  0.676  0.153  1.0
  Li  Li4  1  0.541  0.819  0.364  1.0
  Li  Li5  1  0.041  0.181  0.136  1.0
  Li  Li6  1  0.459  0.181  0.636  1.0
  Li  Li7  1  0.959  0.819  0.864  1.0
  P  P8  1  0.774  0.262  0.947  1.0
  P  P9  1  0.274  0.738  0.553  1.0
  P  P10  1  0.226  0.738  0.053  1.0
  P  P11  1  0.726  0.262  0.447  1.0
  H  H12  1  0.583  0.153  0.162  1.0
  H  H13  1  0.083  0.847  0.338  1.0
  H  H14  1  0.417  0.847  0.838  1.0
  H  H15  1  0.917  0.153  0.662  1.0
  H  H16  1  0.392  0.041  0.158  1.0
  H  H17  1  0.892  0.959  0.342  1.0
  H  H18  1  0.608  0.959  0.842  1.0
  H  H19  1  0.108  0.041  0.658  1.0
  O  O20  1  0.782  0.004  0.925  1.0
  O  O21  1  0.282  0.996  0.575  1.0
  O  O22  1  0.218  0.996  0.075  1.0
  O  O23  1  0.718  0.004  0.425  1.0
  O  O24  1  0.876  0.476  0.864  1.0
  O  O25  1  0.376  0.524  0.636  1.0
  O  O26  1  0.124  0.524  0.136  1.0
  O  O27  1  0.624  0.476  0.364  1.0
  O  O28  1  0.799  0.239  0.071  1.0
  O  O29  1  0.299  0.761  0.429  1.0
  O  O30  1  0.201  0.761  0.929  1.0
  O  O31  1  0.701  0.239  0.571  1.0
  O  O32  1  0.486  0.061  0.210  1.0
  O  O33  1  0.986  0.939  0.290  1.0
  O  O34  1  0.514  0.939  0.790  1.0
  O  O35  1  0.014  0.061  0.710  1.0
  F  F36  1  0.569  0.345  0.923  1.0
  F  F37  1  0.069  0.655  0.577  1.0
  F  F38  1  0.431  0.655  0.077  1.0
  F  F39  1  0.931  0.345  0.423  1.0
[/CIF]
.