The structure described by Li2WPO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-72°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one W(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Li(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   7.186
_cell_angle_alpha   77.414
_cell_angle_beta   77.414
_cell_angle_gamma   73.509
_symmetry_Int_Tables_number   1
_cell_volume   473.423
_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
  Li  Li0  1  0.338  0.931  0.413  1.0
  Li  Li1  1  0.931  0.338  0.913  1.0
  Li  Li2  1  0.990  0.010  0.250  1.0
  Li  Li3  1  0.407  0.593  0.250  1.0
  Li  Li4  1  0.010  0.990  0.750  1.0
  Li  Li5  1  0.593  0.407  0.750  1.0
  Li  Li6  1  0.069  0.662  0.087  1.0
  Li  Li7  1  0.662  0.069  0.587  1.0
  P  P8  1  0.927  0.303  0.461  1.0
  P  P9  1  0.303  0.927  0.961  1.0
  P  P10  1  0.697  0.073  0.039  1.0
  P  P11  1  0.073  0.697  0.539  1.0
  W  W12  1  0.713  0.720  0.371  1.0
  W  W13  1  0.720  0.713  0.871  1.0
  W  W14  1  0.280  0.287  0.129  1.0
  W  W15  1  0.287  0.280  0.629  1.0
  O  O16  1  0.968  0.739  0.370  1.0
  O  O17  1  0.660  0.966  0.243  1.0
  O  O18  1  0.739  0.968  0.870  1.0
  O  O19  1  0.966  0.660  0.743  1.0
  O  O20  1  0.824  0.669  0.112  1.0
  O  O21  1  0.788  0.466  0.496  1.0
  O  O22  1  0.669  0.824  0.612  1.0
  O  O23  1  0.503  0.697  0.396  1.0
  O  O24  1  0.466  0.788  0.996  1.0
  O  O25  1  0.859  0.153  0.468  1.0
  O  O26  1  0.697  0.503  0.896  1.0
  O  O27  1  0.153  0.859  0.968  1.0
  O  O28  1  0.847  0.141  0.032  1.0
  O  O29  1  0.303  0.497  0.104  1.0
  O  O30  1  0.141  0.847  0.532  1.0
  O  O31  1  0.534  0.212  0.004  1.0
  O  O32  1  0.497  0.303  0.604  1.0
  O  O33  1  0.331  0.176  0.388  1.0
  O  O34  1  0.212  0.534  0.504  1.0
  O  O35  1  0.176  0.331  0.888  1.0
  O  O36  1  0.034  0.340  0.257  1.0
  O  O37  1  0.261  0.032  0.130  1.0
  O  O38  1  0.340  0.034  0.757  1.0
  O  O39  1  0.032  0.261  0.630  1.0
[/CIF]
.
The structure described by Li2WPO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-72°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one W(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Li(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.450
_cell_length_b   8.450
_cell_length_c   7.186
_cell_angle_alpha   77.414
_cell_angle_beta   77.414
_cell_angle_gamma   73.509
_symmetry_Int_Tables_number   1
_cell_volume   473.423
_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
  Li  Li0  1  0.338  0.931  0.413  1.0
  Li  Li1  1  0.931  0.338  0.913  1.0
  Li  Li2  1  0.990  0.010  0.250  1.0
  Li  Li3  1  0.407  0.593  0.250  1.0
  Li  Li4  1  0.010  0.990  0.750  1.0
  Li  Li5  1  0.593  0.407  0.750  1.0
  Li  Li6  1  0.069  0.662  0.087  1.0
  Li  Li7  1  0.662  0.069  0.587  1.0
  P  P8  1  0.927  0.303  0.461  1.0
  P  P9  1  0.303  0.927  0.961  1.0
  P  P10  1  0.697  0.073  0.039  1.0
  P  P11  1  0.073  0.697  0.539  1.0
  W  W12  1  0.713  0.720  0.371  1.0
  W  W13  1  0.720  0.713  0.871  1.0
  W  W14  1  0.280  0.287  0.129  1.0
  W  W15  1  0.287  0.280  0.629  1.0
  O  O16  1  0.968  0.739  0.370  1.0
  O  O17  1  0.660  0.966  0.243  1.0
  O  O18  1  0.739  0.968  0.870  1.0
  O  O19  1  0.966  0.660  0.743  1.0
  O  O20  1  0.824  0.669  0.112  1.0
  O  O21  1  0.788  0.466  0.496  1.0
  O  O22  1  0.669  0.824  0.612  1.0
  O  O23  1  0.503  0.697  0.396  1.0
  O  O24  1  0.466  0.788  0.996  1.0
  O  O25  1  0.859  0.153  0.468  1.0
  O  O26  1  0.697  0.503  0.896  1.0
  O  O27  1  0.153  0.859  0.968  1.0
  O  O28  1  0.847  0.141  0.032  1.0
  O  O29  1  0.303  0.497  0.104  1.0
  O  O30  1  0.141  0.847  0.532  1.0
  O  O31  1  0.534  0.212  0.004  1.0
  O  O32  1  0.497  0.303  0.604  1.0
  O  O33  1  0.331  0.176  0.388  1.0
  O  O34  1  0.212  0.534  0.504  1.0
  O  O35  1  0.176  0.331  0.888  1.0
  O  O36  1  0.034  0.340  0.257  1.0
  O  O37  1  0.261  0.032  0.130  1.0
  O  O38  1  0.340  0.034  0.757  1.0
  O  O39  1  0.032  0.261  0.630  1.0
[/CIF]
.