The material structure described by Li2WPO4F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(4)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 36-46°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(1) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(7), one F(1), and one F(2) atom. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(8), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one W(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and one F(2) atom. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom to form distorted WO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and  a cornercorner with one Li(4)O3F trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(4)O3F trigonal pyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-46°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and corners with two equivalent Li(4)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 27-40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one W(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one W(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one W(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.528
_cell_length_b   5.625
_cell_length_c   7.816
_cell_angle_alpha   107.197
_cell_angle_beta   104.315
_cell_angle_gamma   97.400
_symmetry_Int_Tables_number   1
_cell_volume   219.531
_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
  Li  Li0  1  0.263  0.575  0.158  1.0
  Li  Li1  1  0.463  0.142  0.830  1.0
  Li  Li2  1  0.497  0.030  0.464  1.0
  Li  Li3  1  0.822  0.466  0.835  1.0
  P  P4  1  0.665  0.358  0.230  1.0
  P  P5  1  0.336  0.632  0.780  1.0
  W  W6  1  0.005  0.999  0.010  1.0
  W  W7  1  0.978  0.989  0.506  1.0
  O  O8  1  0.264  0.798  0.659  1.0
  O  O9  1  0.720  0.204  0.361  1.0
  O  O10  1  0.298  0.343  0.672  1.0
  O  O11  1  0.167  0.658  0.919  1.0
  O  O12  1  0.847  0.337  0.101  1.0
  O  O13  1  0.386  0.247  0.085  1.0
  O  O14  1  0.667  0.639  0.332  1.0
  O  O15  1  0.625  0.726  0.896  1.0
  F  F16  1  0.735  0.130  0.698  1.0
  F  F17  1  0.190  0.858  0.306  1.0
[/CIF]
.
The material structure described by Li2WPO4F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(4)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 36-46°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one F(1) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(7), one F(1), and one F(2) atom. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(8), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one W(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and one F(2) atom. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(7), one F(1), and one F(2) atom to form distorted WO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, and  a cornercorner with one Li(4)O3F trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(4)O3F trigonal pyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-46°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and corners with two equivalent Li(4)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 27-40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one W(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one W(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one W(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.528
_cell_length_b   5.625
_cell_length_c   7.816
_cell_angle_alpha   107.197
_cell_angle_beta   104.315
_cell_angle_gamma   97.400
_symmetry_Int_Tables_number   1
_cell_volume   219.531
_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
  Li  Li0  1  0.263  0.575  0.158  1.0
  Li  Li1  1  0.463  0.142  0.830  1.0
  Li  Li2  1  0.497  0.030  0.464  1.0
  Li  Li3  1  0.822  0.466  0.835  1.0
  P  P4  1  0.665  0.358  0.230  1.0
  P  P5  1  0.336  0.632  0.780  1.0
  W  W6  1  0.005  0.999  0.010  1.0
  W  W7  1  0.978  0.989  0.506  1.0
  O  O8  1  0.264  0.798  0.659  1.0
  O  O9  1  0.720  0.204  0.361  1.0
  O  O10  1  0.298  0.343  0.672  1.0
  O  O11  1  0.167  0.658  0.919  1.0
  O  O12  1  0.847  0.337  0.101  1.0
  O  O13  1  0.386  0.247  0.085  1.0
  O  O14  1  0.667  0.639  0.332  1.0
  O  O15  1  0.625  0.726  0.896  1.0
  F  F16  1  0.735  0.130  0.698  1.0
  F  F17  1  0.190  0.858  0.306  1.0
[/CIF]
.