The crystal structure described by LiVWO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), 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(6) atoms to form distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_LiVWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.761
_cell_length_b   5.077
_cell_length_c   6.662
_cell_angle_alpha   110.316
_cell_angle_beta   90.000
_cell_angle_gamma   68.260
_symmetry_Int_Tables_number   1
_cell_volume   109.588
_cell_formula_units_Z   1
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  0.000  0.999  0.006  1.0
  V  V1  1  0.182  0.635  0.351  1.0
  W  W2  1  0.821  0.358  0.635  1.0
  O  O3  1  0.014  0.972  0.304  1.0
  O  O4  1  0.986  0.029  0.713  1.0
  O  O5  1  0.322  0.356  0.112  1.0
  O  O6  1  0.667  0.666  0.889  1.0
  O  O7  1  0.695  0.610  0.431  1.0
  O  O8  1  0.312  0.376  0.561  1.0
[/CIF]
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The crystal structure described by LiVWO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), 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(6) atoms to form distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_LiVWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.761
_cell_length_b   5.077
_cell_length_c   6.662
_cell_angle_alpha   110.316
_cell_angle_beta   90.000
_cell_angle_gamma   68.260
_symmetry_Int_Tables_number   1
_cell_volume   109.588
_cell_formula_units_Z   1
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  0.000  0.999  0.006  1.0
  V  V1  1  0.182  0.635  0.351  1.0
  W  W2  1  0.821  0.358  0.635  1.0
  O  O3  1  0.014  0.972  0.304  1.0
  O  O4  1  0.986  0.029  0.713  1.0
  O  O5  1  0.322  0.356  0.112  1.0
  O  O6  1  0.667  0.666  0.889  1.0
  O  O7  1  0.695  0.610  0.431  1.0
  O  O8  1  0.312  0.376  0.561  1.0
[/CIF]
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