The crystal structure described by Li2V3TeO8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are six 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 two equivalent O(5)LiV2Te trigonal pyramids, corners with three equivalent O(2)LiV3 trigonal pyramids, and corners with four equivalent O(6)LiV2Te trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(5)LiV2Te trigonal pyramid, corners with two equivalent O(6)LiV2Te trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(5)LiV2Te trigonal pyramid, and edges with two equivalent O(6)LiV2Te trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(2), and one Te(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Te(1) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(6)LiV2Te trigonal pyramids, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(2)LiV3 trigonal pyramid, and edges with two equivalent O(6)LiV2Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one V(1), one V(2), and one Te(1) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(5)LiV2Te trigonal pyramid,  a cornercorner with one O(6)LiV2Te trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(5)LiV2Te trigonal pyramid,  an edgeedge with one O(6)LiV2Te trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.046
_cell_length_c   6.235
_cell_angle_alpha   118.985
_cell_angle_beta   90.008
_cell_angle_gamma   119.937
_symmetry_Int_Tables_number   1
_cell_volume   163.473
_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  0.871  0.742  0.615  1.0
  Li  Li1  1  0.129  0.258  0.388  1.0
  O  O2  1  0.733  0.466  0.201  1.0
  O  O3  1  0.265  0.531  0.797  1.0
  O  O4  1  0.281  0.024  0.766  1.0
  O  O5  1  0.743  0.024  0.766  1.0
  O  O6  1  0.744  0.488  0.770  1.0
  O  O7  1  0.261  0.522  0.241  1.0
  O  O8  1  0.262  0.980  0.236  1.0
  O  O9  1  0.718  0.980  0.236  1.0
  Te  Te10  1  0.497  0.994  0.493  1.0
  V  V11  1  0.500  1.000  0.998  1.0
  V  V12  1  0.500  0.496  0.996  1.0
  V  V13  1  0.996  0.496  0.996  1.0
[/CIF]
.
The crystal structure described by Li2V3TeO8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are six 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 two equivalent O(5)LiV2Te trigonal pyramids, corners with three equivalent O(2)LiV3 trigonal pyramids, and corners with four equivalent O(6)LiV2Te trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(5)LiV2Te trigonal pyramid, corners with two equivalent O(6)LiV2Te trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(5)LiV2Te trigonal pyramid, and edges with two equivalent O(6)LiV2Te trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(2), and one Te(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(2), and one Te(1) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(6)LiV2Te trigonal pyramids, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(2)LiV3 trigonal pyramid, and edges with two equivalent O(6)LiV2Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one V(1), one V(2), and one Te(1) atom to form distorted OLiV2Te trigonal pyramids that share  a cornercorner with one O(5)LiV2Te trigonal pyramid,  a cornercorner with one O(6)LiV2Te trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(5)LiV2Te trigonal pyramid,  an edgeedge with one O(6)LiV2Te trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.046
_cell_length_c   6.235
_cell_angle_alpha   118.985
_cell_angle_beta   90.008
_cell_angle_gamma   119.937
_symmetry_Int_Tables_number   1
_cell_volume   163.473
_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  0.871  0.742  0.615  1.0
  Li  Li1  1  0.129  0.258  0.388  1.0
  O  O2  1  0.733  0.466  0.201  1.0
  O  O3  1  0.265  0.531  0.797  1.0
  O  O4  1  0.281  0.024  0.766  1.0
  O  O5  1  0.743  0.024  0.766  1.0
  O  O6  1  0.744  0.488  0.770  1.0
  O  O7  1  0.261  0.522  0.241  1.0
  O  O8  1  0.262  0.980  0.236  1.0
  O  O9  1  0.718  0.980  0.236  1.0
  Te  Te10  1  0.497  0.994  0.493  1.0
  V  V11  1  0.500  1.000  0.998  1.0
  V  V12  1  0.500  0.496  0.996  1.0
  V  V13  1  0.996  0.496  0.996  1.0
[/CIF]
.