The structure described by Li2V3TeO8 is Spinel-derived structured and crystallizes in the trigonal P31c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Te(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-55°. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Te(1) atom to form distorted OLiV2Te tetrahedra that share corners with two equivalent O(2)LiV2Te tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  a cornercorner with one O(3)LiV3 trigonal pyramid, edges with two equivalent O(2)LiV2Te tetrahedra, and  an edgeedge with one O(3)LiV3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(2)LiV2Te tetrahedra, corners with three equivalent O(4)LiV3 tetrahedra, and edges with three equivalent O(2)LiV2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form OLiV3 tetrahedra that share corners with six equivalent O(2)LiV2Te tetrahedra and corners with three equivalent O(3)LiV3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li2V3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   9.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   313.382
_cell_formula_units_Z   2
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  0.333  0.667  0.903  1.0
  Li  Li1  1  0.000  0.000  0.992  1.0
  Li  Li2  1  0.000  0.000  0.492  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  V  V4  1  0.168  0.827  0.216  1.0
  V  V5  1  0.173  0.341  0.216  1.0
  V  V6  1  0.659  0.832  0.216  1.0
  V  V7  1  0.341  0.173  0.716  1.0
  V  V8  1  0.832  0.659  0.716  1.0
  V  V9  1  0.827  0.168  0.716  1.0
  Te  Te10  1  0.333  0.667  0.493  1.0
  Te  Te11  1  0.667  0.333  0.993  1.0
  O  O12  1  0.167  0.848  0.596  1.0
  O  O13  1  0.031  0.524  0.337  1.0
  O  O14  1  0.333  0.667  0.109  1.0
  O  O15  1  0.000  0.000  0.308  1.0
  O  O16  1  0.000  0.000  0.808  1.0
  O  O17  1  0.152  0.319  0.596  1.0
  O  O18  1  0.494  0.969  0.337  1.0
  O  O19  1  0.476  0.506  0.337  1.0
  O  O20  1  0.319  0.152  0.096  1.0
  O  O21  1  0.681  0.833  0.596  1.0
  O  O22  1  0.506  0.476  0.837  1.0
  O  O23  1  0.524  0.031  0.837  1.0
  O  O24  1  0.667  0.333  0.609  1.0
  O  O25  1  0.833  0.681  0.096  1.0
  O  O26  1  0.969  0.494  0.837  1.0
  O  O27  1  0.848  0.167  0.096  1.0
[/CIF]
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The structure described by Li2V3TeO8 is Spinel-derived structured and crystallizes in the trigonal P31c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Te(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-55°. Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Te(1) atom to form distorted OLiV2Te tetrahedra that share corners with two equivalent O(2)LiV2Te tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra,  a cornercorner with one O(3)LiV3 trigonal pyramid, edges with two equivalent O(2)LiV2Te tetrahedra, and  an edgeedge with one O(3)LiV3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(2)LiV2Te tetrahedra, corners with three equivalent O(4)LiV3 tetrahedra, and edges with three equivalent O(2)LiV2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form OLiV3 tetrahedra that share corners with six equivalent O(2)LiV2Te tetrahedra and corners with three equivalent O(3)LiV3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li2V3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   9.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   313.382
_cell_formula_units_Z   2
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  0.333  0.667  0.903  1.0
  Li  Li1  1  0.000  0.000  0.992  1.0
  Li  Li2  1  0.000  0.000  0.492  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  V  V4  1  0.168  0.827  0.216  1.0
  V  V5  1  0.173  0.341  0.216  1.0
  V  V6  1  0.659  0.832  0.216  1.0
  V  V7  1  0.341  0.173  0.716  1.0
  V  V8  1  0.832  0.659  0.716  1.0
  V  V9  1  0.827  0.168  0.716  1.0
  Te  Te10  1  0.333  0.667  0.493  1.0
  Te  Te11  1  0.667  0.333  0.993  1.0
  O  O12  1  0.167  0.848  0.596  1.0
  O  O13  1  0.031  0.524  0.337  1.0
  O  O14  1  0.333  0.667  0.109  1.0
  O  O15  1  0.000  0.000  0.308  1.0
  O  O16  1  0.000  0.000  0.808  1.0
  O  O17  1  0.152  0.319  0.596  1.0
  O  O18  1  0.494  0.969  0.337  1.0
  O  O19  1  0.476  0.506  0.337  1.0
  O  O20  1  0.319  0.152  0.096  1.0
  O  O21  1  0.681  0.833  0.596  1.0
  O  O22  1  0.506  0.476  0.837  1.0
  O  O23  1  0.524  0.031  0.837  1.0
  O  O24  1  0.667  0.333  0.609  1.0
  O  O25  1  0.833  0.681  0.096  1.0
  O  O26  1  0.969  0.494  0.837  1.0
  O  O27  1  0.848  0.167  0.096  1.0
[/CIF]
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