The structure described by Li4V(TeO4)3 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Te(1), and one Te(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(1), and one Te(2) atom to form distorted OLi2VTe trigonal pyramids that share corners with two equivalent O(6)Li2Te2 trigonal pyramids, corners with two equivalent O(5)Li2VTe trigonal pyramids, and  an edgeedge with one O(5)Li2VTe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(2), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share corners with two equivalent O(5)Li2VTe trigonal pyramids and corners with four equivalent O(6)Li2Te2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4V(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   5.048
_cell_length_c   5.224
_cell_angle_alpha   87.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.383
_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  0.296  0.000  0.000  1.0
  Li  Li1  1  0.149  0.500  0.000  1.0
  Li  Li2  1  0.701  0.000  0.500  1.0
  Li  Li3  1  0.813  0.500  0.500  1.0
  V  V4  1  0.897  0.000  0.000  1.0
  Te  Te5  1  0.601  0.500  0.000  1.0
  Te  Te6  1  0.076  0.000  0.500  1.0
  Te  Te7  1  0.399  0.500  0.500  1.0
  O  O8  1  0.750  0.261  0.855  1.0
  O  O9  1  0.438  0.285  0.854  1.0
  O  O10  1  0.061  0.204  0.811  1.0
  O  O11  1  0.584  0.699  0.669  1.0
  O  O12  1  0.905  0.807  0.680  1.0
  O  O13  1  0.225  0.778  0.679  1.0
  O  O14  1  0.225  0.222  0.321  1.0
  O  O15  1  0.905  0.193  0.320  1.0
  O  O16  1  0.584  0.301  0.331  1.0
  O  O17  1  0.061  0.796  0.189  1.0
  O  O18  1  0.438  0.715  0.146  1.0
  O  O19  1  0.750  0.739  0.145  1.0
[/CIF]
.
The structure described by Li4V(TeO4)3 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Te(1), and one Te(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(1), and one Te(2) atom to form distorted OLi2VTe trigonal pyramids that share corners with two equivalent O(6)Li2Te2 trigonal pyramids, corners with two equivalent O(5)Li2VTe trigonal pyramids, and  an edgeedge with one O(5)Li2VTe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(2), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share corners with two equivalent O(5)Li2VTe trigonal pyramids and corners with four equivalent O(6)Li2Te2 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4V(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.748
_cell_length_b   5.048
_cell_length_c   5.224
_cell_angle_alpha   87.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.383
_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  0.296  0.000  0.000  1.0
  Li  Li1  1  0.149  0.500  0.000  1.0
  Li  Li2  1  0.701  0.000  0.500  1.0
  Li  Li3  1  0.813  0.500  0.500  1.0
  V  V4  1  0.897  0.000  0.000  1.0
  Te  Te5  1  0.601  0.500  0.000  1.0
  Te  Te6  1  0.076  0.000  0.500  1.0
  Te  Te7  1  0.399  0.500  0.500  1.0
  O  O8  1  0.750  0.261  0.855  1.0
  O  O9  1  0.438  0.285  0.854  1.0
  O  O10  1  0.061  0.204  0.811  1.0
  O  O11  1  0.584  0.699  0.669  1.0
  O  O12  1  0.905  0.807  0.680  1.0
  O  O13  1  0.225  0.778  0.679  1.0
  O  O14  1  0.225  0.222  0.321  1.0
  O  O15  1  0.905  0.193  0.320  1.0
  O  O16  1  0.584  0.301  0.331  1.0
  O  O17  1  0.061  0.796  0.189  1.0
  O  O18  1  0.438  0.715  0.146  1.0
  O  O19  1  0.750  0.739  0.145  1.0
[/CIF]
.