The material described by Li2WPO4F is Chalcostibite-derived structured and 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(5), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one W(1)O3F2 square pyramid,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one W(1)O3F2 square pyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(8), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(7), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one W(1)O3F2 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O2F2 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one F(1) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(4), one O(6), one O(8), one F(1), and one F(2) atom to form distorted WO3F2 square pyramids that share  a cornercorner with one Li(3)O3F tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. In the second W site, W(2) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O3F2 square pyramid, corners with two equivalent Li(3)O3F tetrahedra, and corners with two equivalent Li(1)O2F2 trigonal pyramids. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O3F2 square pyramids and  a cornercorner with one Li(3)O3F tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one W(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one W(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one W(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one W(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Li(4), and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   5.967
_cell_length_c   7.760
_cell_angle_alpha   73.450
_cell_angle_beta   75.906
_cell_angle_gamma   82.648
_symmetry_Int_Tables_number   1
_cell_volume   228.342
_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  0.547  0.914  0.141  1.0
  Li  Li1  1  0.838  0.585  0.993  1.0
  Li  Li2  1  0.121  0.031  0.384  1.0
  Li  Li3  1  0.686  0.963  0.680  1.0
  P  P4  1  0.610  0.334  0.301  1.0
  P  P5  1  0.322  0.685  0.727  1.0
  W  W6  1  0.042  0.157  0.905  1.0
  W  W7  1  0.966  0.456  0.531  1.0
  O  O8  1  0.776  0.202  0.449  1.0
  O  O9  1  0.159  0.732  0.576  1.0
  O  O10  1  0.615  0.636  0.652  1.0
  O  O11  1  0.204  0.486  0.897  1.0
  O  O12  1  0.667  0.593  0.245  1.0
  O  O13  1  0.317  0.917  0.782  1.0
  O  O14  1  0.319  0.287  0.384  1.0
  O  O15  1  0.703  0.236  0.127  1.0
  F  F16  1  0.784  0.904  0.910  1.0
  F  F17  1  0.194  0.967  0.159  1.0
[/CIF]
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The material described by Li2WPO4F is Chalcostibite-derived structured and 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(5), one O(8), one F(1), and one F(2) atom to form distorted LiO2F2 trigonal pyramids that share  a cornercorner with one W(1)O3F2 square pyramid,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one W(1)O3F2 square pyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(8), and one F(1) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(7), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one W(1)O3F2 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O2F2 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one F(1) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(4), one O(6), one O(8), one F(1), and one F(2) atom to form distorted WO3F2 square pyramids that share  a cornercorner with one Li(3)O3F tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(1)O2F2 trigonal pyramid. In the second W site, W(2) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O3F2 square pyramid, corners with two equivalent Li(3)O3F tetrahedra, and corners with two equivalent Li(1)O2F2 trigonal pyramids. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O3F2 square pyramids and  a cornercorner with one Li(3)O3F tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one W(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one W(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one W(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one W(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Li(4), and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   5.967
_cell_length_c   7.760
_cell_angle_alpha   73.450
_cell_angle_beta   75.906
_cell_angle_gamma   82.648
_symmetry_Int_Tables_number   1
_cell_volume   228.342
_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  0.547  0.914  0.141  1.0
  Li  Li1  1  0.838  0.585  0.993  1.0
  Li  Li2  1  0.121  0.031  0.384  1.0
  Li  Li3  1  0.686  0.963  0.680  1.0
  P  P4  1  0.610  0.334  0.301  1.0
  P  P5  1  0.322  0.685  0.727  1.0
  W  W6  1  0.042  0.157  0.905  1.0
  W  W7  1  0.966  0.456  0.531  1.0
  O  O8  1  0.776  0.202  0.449  1.0
  O  O9  1  0.159  0.732  0.576  1.0
  O  O10  1  0.615  0.636  0.652  1.0
  O  O11  1  0.204  0.486  0.897  1.0
  O  O12  1  0.667  0.593  0.245  1.0
  O  O13  1  0.317  0.917  0.782  1.0
  O  O14  1  0.319  0.287  0.384  1.0
  O  O15  1  0.703  0.236  0.127  1.0
  F  F16  1  0.784  0.904  0.910  1.0
  F  F17  1  0.194  0.967  0.159  1.0
[/CIF]
.