The compound described by Li2V3WO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(3)LiV2W trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV2W trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one W(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(2), and one W(1) atom to form distorted OLiV2W trigonal pyramids that share corners with three equivalent O(3)LiV2W trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, and  an edgeedge with one O(1)LiV3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2V3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.212
_cell_length_b   6.108
_cell_length_c   6.102
_cell_angle_alpha   59.587
_cell_angle_beta   58.722
_cell_angle_gamma   58.720
_symmetry_Int_Tables_number   1
_cell_volume   159.960
_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  0.134  0.128  0.128  1.0
  Li  Li1  1  0.866  0.872  0.872  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.272  0.262  0.262  1.0
  O  O7  1  0.262  0.267  0.717  1.0
  O  O8  1  0.262  0.717  0.267  1.0
  O  O9  1  0.719  0.268  0.269  1.0
  O  O10  1  0.281  0.732  0.731  1.0
  O  O11  1  0.738  0.283  0.733  1.0
  O  O12  1  0.738  0.733  0.283  1.0
  O  O13  1  0.728  0.738  0.738  1.0
[/CIF]
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The compound described by Li2V3WO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(3)LiV2W trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV2W trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one W(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(2), and one W(1) atom to form distorted OLiV2W trigonal pyramids that share corners with three equivalent O(3)LiV2W trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, and  an edgeedge with one O(1)LiV3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2V3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.212
_cell_length_b   6.108
_cell_length_c   6.102
_cell_angle_alpha   59.587
_cell_angle_beta   58.722
_cell_angle_gamma   58.720
_symmetry_Int_Tables_number   1
_cell_volume   159.960
_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  0.134  0.128  0.128  1.0
  Li  Li1  1  0.866  0.872  0.872  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.272  0.262  0.262  1.0
  O  O7  1  0.262  0.267  0.717  1.0
  O  O8  1  0.262  0.717  0.267  1.0
  O  O9  1  0.719  0.268  0.269  1.0
  O  O10  1  0.281  0.732  0.731  1.0
  O  O11  1  0.738  0.283  0.733  1.0
  O  O12  1  0.738  0.733  0.283  1.0
  O  O13  1  0.728  0.738  0.738  1.0
[/CIF]
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