The material described by KLiPH3O3F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one H(1), one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom. Li(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a bent 150 degrees geometry to one K(1) and one H(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one H(3) atom. In the third H site, H(3) is bonded in a linear geometry to one H(1) and one H(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(1) atom. In the third O site, O(2) 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_KLiPH3O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.947
_cell_length_b   5.539
_cell_length_c   13.203
_cell_angle_alpha   66.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.573
_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  0.265  0.355  0.854  1.0
  K  K1  1  0.735  0.645  0.146  1.0
  K  K2  1  0.765  0.645  0.646  1.0
  K  K3  1  0.235  0.355  0.354  1.0
  Li  Li4  1  0.053  0.200  0.618  1.0
  Li  Li5  1  0.947  0.800  0.382  1.0
  Li  Li6  1  0.553  0.800  0.882  1.0
  Li  Li7  1  0.447  0.200  0.118  1.0
  P  P8  1  0.208  0.738  0.553  1.0
  P  P9  1  0.792  0.262  0.447  1.0
  P  P10  1  0.708  0.262  0.947  1.0
  P  P11  1  0.292  0.738  0.053  1.0
  H  H12  1  0.087  0.814  0.801  1.0
  H  H13  1  0.913  0.186  0.199  1.0
  H  H14  1  0.587  0.186  0.699  1.0
  H  H15  1  0.413  0.814  0.301  1.0
  H  H16  1  0.896  0.004  0.821  1.0
  H  H17  1  0.104  0.996  0.179  1.0
  H  H18  1  0.396  0.996  0.679  1.0
  H  H19  1  0.604  0.004  0.321  1.0
  H  H20  1  0.982  0.922  0.811  1.0
  H  H21  1  0.018  0.078  0.189  1.0
  H  H22  1  0.482  0.078  0.689  1.0
  H  H23  1  0.518  0.922  0.311  1.0
  O  O24  1  0.325  0.769  0.935  1.0
  O  O25  1  0.675  0.231  0.065  1.0
  O  O26  1  0.825  0.231  0.565  1.0
  O  O27  1  0.175  0.769  0.435  1.0
  O  O28  1  0.123  0.500  0.643  1.0
  O  O29  1  0.877  0.500  0.357  1.0
  O  O30  1  0.623  0.500  0.857  1.0
  O  O31  1  0.377  0.500  0.143  1.0
  O  O32  1  0.190  0.994  0.569  1.0
  O  O33  1  0.810  0.006  0.431  1.0
  O  O34  1  0.690  0.006  0.931  1.0
  O  O35  1  0.310  0.994  0.069  1.0
  F  F36  1  0.409  0.674  0.572  1.0
  F  F37  1  0.591  0.326  0.428  1.0
  F  F38  1  0.909  0.326  0.928  1.0
  F  F39  1  0.091  0.674  0.072  1.0
[/CIF]
.
The material described by KLiPH3O3F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one H(1), one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom. Li(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a bent 150 degrees geometry to one K(1) and one H(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one H(3) atom. In the third H site, H(3) is bonded in a linear geometry to one H(1) and one H(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(1) atom. In the third O site, O(2) 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_KLiPH3O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.947
_cell_length_b   5.539
_cell_length_c   13.203
_cell_angle_alpha   66.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.573
_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  0.265  0.355  0.854  1.0
  K  K1  1  0.735  0.645  0.146  1.0
  K  K2  1  0.765  0.645  0.646  1.0
  K  K3  1  0.235  0.355  0.354  1.0
  Li  Li4  1  0.053  0.200  0.618  1.0
  Li  Li5  1  0.947  0.800  0.382  1.0
  Li  Li6  1  0.553  0.800  0.882  1.0
  Li  Li7  1  0.447  0.200  0.118  1.0
  P  P8  1  0.208  0.738  0.553  1.0
  P  P9  1  0.792  0.262  0.447  1.0
  P  P10  1  0.708  0.262  0.947  1.0
  P  P11  1  0.292  0.738  0.053  1.0
  H  H12  1  0.087  0.814  0.801  1.0
  H  H13  1  0.913  0.186  0.199  1.0
  H  H14  1  0.587  0.186  0.699  1.0
  H  H15  1  0.413  0.814  0.301  1.0
  H  H16  1  0.896  0.004  0.821  1.0
  H  H17  1  0.104  0.996  0.179  1.0
  H  H18  1  0.396  0.996  0.679  1.0
  H  H19  1  0.604  0.004  0.321  1.0
  H  H20  1  0.982  0.922  0.811  1.0
  H  H21  1  0.018  0.078  0.189  1.0
  H  H22  1  0.482  0.078  0.689  1.0
  H  H23  1  0.518  0.922  0.311  1.0
  O  O24  1  0.325  0.769  0.935  1.0
  O  O25  1  0.675  0.231  0.065  1.0
  O  O26  1  0.825  0.231  0.565  1.0
  O  O27  1  0.175  0.769  0.435  1.0
  O  O28  1  0.123  0.500  0.643  1.0
  O  O29  1  0.877  0.500  0.357  1.0
  O  O30  1  0.623  0.500  0.857  1.0
  O  O31  1  0.377  0.500  0.143  1.0
  O  O32  1  0.190  0.994  0.569  1.0
  O  O33  1  0.810  0.006  0.431  1.0
  O  O34  1  0.690  0.006  0.931  1.0
  O  O35  1  0.310  0.994  0.069  1.0
  F  F36  1  0.409  0.674  0.572  1.0
  F  F37  1  0.591  0.326  0.428  1.0
  F  F38  1  0.909  0.326  0.928  1.0
  F  F39  1  0.091  0.674  0.072  1.0
[/CIF]
.