The structure described by WPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(2)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second W site, W(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with two equivalent W(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.385
_cell_length_c   7.726
_cell_angle_alpha   106.323
_cell_angle_beta   109.044
_cell_angle_gamma   94.975
_symmetry_Int_Tables_number   1
_cell_volume   199.147
_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
  P  P0  1  0.885  0.575  0.238  1.0
  P  P1  1  0.115  0.425  0.762  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.186  0.722  0.884  1.0
  O  O5  1  0.156  0.260  0.899  1.0
  O  O6  1  0.821  0.346  0.616  1.0
  O  O7  1  0.304  0.364  0.650  1.0
  O  O8  1  0.844  0.740  0.101  1.0
  O  O9  1  0.179  0.654  0.384  1.0
  O  O10  1  0.696  0.636  0.350  1.0
  O  O11  1  0.814  0.278  0.116  1.0
  F  F12  1  0.671  0.853  0.735  1.0
  F  F13  1  0.329  0.147  0.265  1.0
[/CIF]
.
The structure described by WPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(2)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second W site, W(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with two equivalent W(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.385
_cell_length_c   7.726
_cell_angle_alpha   106.323
_cell_angle_beta   109.044
_cell_angle_gamma   94.975
_symmetry_Int_Tables_number   1
_cell_volume   199.147
_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
  P  P0  1  0.885  0.575  0.238  1.0
  P  P1  1  0.115  0.425  0.762  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.186  0.722  0.884  1.0
  O  O5  1  0.156  0.260  0.899  1.0
  O  O6  1  0.821  0.346  0.616  1.0
  O  O7  1  0.304  0.364  0.650  1.0
  O  O8  1  0.844  0.740  0.101  1.0
  O  O9  1  0.179  0.654  0.384  1.0
  O  O10  1  0.696  0.636  0.350  1.0
  O  O11  1  0.814  0.278  0.116  1.0
  F  F12  1  0.671  0.853  0.735  1.0
  F  F13  1  0.329  0.147  0.265  1.0
[/CIF]
.