The crystal structure described by LiWPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent W(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 42-44°. There are two inequivalent P sites. In the first P site, 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 two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 35-53°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), 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(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(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(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one W(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one W(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one W(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.098
_cell_length_b   7.462
_cell_length_c   8.132
_cell_angle_alpha   89.671
_cell_angle_beta   92.382
_cell_angle_gamma   115.905
_symmetry_Int_Tables_number   1
_cell_volume   387.057
_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  0.297  0.817  0.431  1.0
  Li  Li1  1  0.218  0.296  0.070  1.0
  Li  Li2  1  0.782  0.704  0.930  1.0
  Li  Li3  1  0.703  0.183  0.569  1.0
  P  P4  1  0.232  0.746  0.094  1.0
  P  P5  1  0.265  0.241  0.406  1.0
  P  P6  1  0.735  0.759  0.594  1.0
  P  P7  1  0.768  0.254  0.906  1.0
  W  W8  1  0.245  0.499  0.744  1.0
  W  W9  1  0.246  0.001  0.758  1.0
  W  W10  1  0.754  0.999  0.242  1.0
  W  W11  1  0.755  0.501  0.256  1.0
  O  O12  1  0.128  0.845  0.977  1.0
  O  O13  1  0.087  0.645  0.239  1.0
  O  O14  1  0.243  0.751  0.663  1.0
  O  O15  1  0.275  0.590  0.997  1.0
  O  O16  1  0.201  0.376  0.510  1.0
  O  O17  1  0.433  0.903  0.181  1.0
  O  O18  1  0.073  0.094  0.302  1.0
  O  O19  1  0.266  0.259  0.842  1.0
  O  O20  1  0.645  0.876  0.481  1.0
  O  O21  1  0.424  0.363  0.277  1.0
  O  O22  1  0.576  0.637  0.723  1.0
  O  O23  1  0.355  0.124  0.519  1.0
  O  O24  1  0.734  0.741  0.158  1.0
  O  O25  1  0.927  0.906  0.698  1.0
  O  O26  1  0.567  0.097  0.819  1.0
  O  O27  1  0.799  0.624  0.490  1.0
  O  O28  1  0.725  0.410  0.003  1.0
  O  O29  1  0.757  0.249  0.337  1.0
  O  O30  1  0.913  0.355  0.761  1.0
  O  O31  1  0.872  0.155  0.023  1.0
[/CIF]
.
The crystal structure described by LiWPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent W(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-44°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 42-44°. There are two inequivalent P sites. In the first P site, 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 two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 35-53°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), 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(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(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(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one W(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one W(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one W(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.098
_cell_length_b   7.462
_cell_length_c   8.132
_cell_angle_alpha   89.671
_cell_angle_beta   92.382
_cell_angle_gamma   115.905
_symmetry_Int_Tables_number   1
_cell_volume   387.057
_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  0.297  0.817  0.431  1.0
  Li  Li1  1  0.218  0.296  0.070  1.0
  Li  Li2  1  0.782  0.704  0.930  1.0
  Li  Li3  1  0.703  0.183  0.569  1.0
  P  P4  1  0.232  0.746  0.094  1.0
  P  P5  1  0.265  0.241  0.406  1.0
  P  P6  1  0.735  0.759  0.594  1.0
  P  P7  1  0.768  0.254  0.906  1.0
  W  W8  1  0.245  0.499  0.744  1.0
  W  W9  1  0.246  0.001  0.758  1.0
  W  W10  1  0.754  0.999  0.242  1.0
  W  W11  1  0.755  0.501  0.256  1.0
  O  O12  1  0.128  0.845  0.977  1.0
  O  O13  1  0.087  0.645  0.239  1.0
  O  O14  1  0.243  0.751  0.663  1.0
  O  O15  1  0.275  0.590  0.997  1.0
  O  O16  1  0.201  0.376  0.510  1.0
  O  O17  1  0.433  0.903  0.181  1.0
  O  O18  1  0.073  0.094  0.302  1.0
  O  O19  1  0.266  0.259  0.842  1.0
  O  O20  1  0.645  0.876  0.481  1.0
  O  O21  1  0.424  0.363  0.277  1.0
  O  O22  1  0.576  0.637  0.723  1.0
  O  O23  1  0.355  0.124  0.519  1.0
  O  O24  1  0.734  0.741  0.158  1.0
  O  O25  1  0.927  0.906  0.698  1.0
  O  O26  1  0.567  0.097  0.819  1.0
  O  O27  1  0.799  0.624  0.490  1.0
  O  O28  1  0.725  0.410  0.003  1.0
  O  O29  1  0.757  0.249  0.337  1.0
  O  O30  1  0.913  0.355  0.761  1.0
  O  O31  1  0.872  0.155  0.023  1.0
[/CIF]
.