The material structure described by K3PO3F2 crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the fourth K site, K(4) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), two equivalent O(2), and one F(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(3), two equivalent K(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), two equivalent K(4), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), two equivalent K(4), and one P(1) atom. In the second F site, F(1) is bonded to one K(1), one K(2), two equivalent K(3), and two equivalent K(4) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles range from 2-29°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3PO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.700
_cell_length_b   7.618
_cell_length_c   7.416
_cell_angle_alpha   61.600
_cell_angle_beta   60.492
_cell_angle_gamma   57.907
_symmetry_Int_Tables_number   1
_cell_volume   306.915
_cell_formula_units_Z   2
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  0.806  0.194  0.194  1.0
  K  K1  1  0.187  0.813  0.813  1.0
  K  K2  1  0.703  0.297  0.695  1.0
  K  K3  1  0.305  0.695  0.297  1.0
  K  K4  1  0.248  0.252  0.252  1.0
  K  K5  1  0.748  0.752  0.752  1.0
  P  P6  1  0.768  0.746  0.232  1.0
  P  P7  1  0.254  0.232  0.746  1.0
  O  O8  1  0.454  0.217  0.546  1.0
  O  O9  1  0.947  0.714  0.294  1.0
  O  O10  1  0.706  0.954  0.053  1.0
  O  O11  1  0.783  0.546  0.217  1.0
  O  O12  1  0.046  0.294  0.714  1.0
  O  O13  1  0.286  0.053  0.954  1.0
  F  F14  1  0.495  0.505  0.992  1.0
  F  F15  1  0.008  0.992  0.505  1.0
  F  F16  1  0.209  0.453  0.791  1.0
  F  F17  1  0.547  0.791  0.453  1.0
[/CIF]
.
The material structure described by K3PO3F2 crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. In the fourth K site, K(4) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), two equivalent O(2), and one F(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(3), two equivalent K(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), two equivalent K(4), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), two equivalent K(4), and one P(1) atom. In the second F site, F(1) is bonded to one K(1), one K(2), two equivalent K(3), and two equivalent K(4) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles range from 2-29°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3PO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.700
_cell_length_b   7.618
_cell_length_c   7.416
_cell_angle_alpha   61.600
_cell_angle_beta   60.492
_cell_angle_gamma   57.907
_symmetry_Int_Tables_number   1
_cell_volume   306.915
_cell_formula_units_Z   2
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  0.806  0.194  0.194  1.0
  K  K1  1  0.187  0.813  0.813  1.0
  K  K2  1  0.703  0.297  0.695  1.0
  K  K3  1  0.305  0.695  0.297  1.0
  K  K4  1  0.248  0.252  0.252  1.0
  K  K5  1  0.748  0.752  0.752  1.0
  P  P6  1  0.768  0.746  0.232  1.0
  P  P7  1  0.254  0.232  0.746  1.0
  O  O8  1  0.454  0.217  0.546  1.0
  O  O9  1  0.947  0.714  0.294  1.0
  O  O10  1  0.706  0.954  0.053  1.0
  O  O11  1  0.783  0.546  0.217  1.0
  O  O12  1  0.046  0.294  0.714  1.0
  O  O13  1  0.286  0.053  0.954  1.0
  F  F14  1  0.495  0.505  0.992  1.0
  F  F15  1  0.008  0.992  0.505  1.0
  F  F16  1  0.209  0.453  0.791  1.0
  F  F17  1  0.547  0.791  0.453  1.0
[/CIF]
.