The material described by Li4VFe(TeO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Te site, Te(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one V(1), and one Te(1) atom to form distorted OLi2VTe tetrahedra that share  a cornercorner with one O(11)Li2FeTe tetrahedra,  a cornercorner with one O(3)Li2FeTe tetrahedra,  a cornercorner with one O(8)Li2FeTe tetrahedra,  an edgeedge with one O(11)Li2FeTe tetrahedra, and edges with two equivalent O(4)Li2VTe tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra,  a cornercorner with one O(4)Li2VTe tetrahedra, corners with two equivalent O(11)Li2FeTe tetrahedra, corners with two equivalent O(8)Li2FeTe tetrahedra,  a cornercorner with one O(5)Li2FeTe trigonal pyramid, and  an edgeedge with one O(5)Li2FeTe trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), and one Te(1) atom to form distorted OLi2VTe tetrahedra that share  a cornercorner with one O(3)Li2FeTe tetrahedra,  a cornercorner with one O(8)Li2FeTe tetrahedra, corners with three equivalent O(11)Li2FeTe tetrahedra, and edges with two equivalent O(1)Li2VTe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeTe trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra,  a cornercorner with one O(4)Li2VTe tetrahedra, corners with two equivalent O(3)Li2FeTe tetrahedra, corners with three equivalent O(5)Li2FeTe trigonal pyramids, and  an edgeedge with one O(11)Li2FeTe tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Fe(1), and one Te(1) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra, corners with two equivalent O(3)Li2FeTe tetrahedra, corners with three equivalent O(4)Li2VTe tetrahedra,  a cornercorner with one O(5)Li2FeTe trigonal pyramid,  an edgeedge with one O(8)Li2FeTe tetrahedra, and  an edgeedge with one O(1)Li2VTe tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4VFe(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.381
_cell_length_c   7.468
_cell_angle_alpha   93.738
_cell_angle_beta   90.073
_cell_angle_gamma   90.292
_symmetry_Int_Tables_number   1
_cell_volume   205.526
_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  0.004  0.437  0.272  1.0
  Li  Li1  1  0.499  0.939  0.791  1.0
  Li  Li2  1  0.996  0.406  0.802  1.0
  Li  Li3  1  0.498  0.954  0.270  1.0
  V  V4  1  0.503  0.486  0.512  1.0
  Fe  Fe5  1  0.999  0.989  0.003  1.0
  Te  Te6  1  0.999  0.987  0.499  1.0
  Te  Te7  1  0.506  0.500  0.010  1.0
  O  O8  1  0.304  0.210  0.432  1.0
  O  O9  1  0.123  0.023  0.739  1.0
  O  O10  1  0.332  0.818  0.045  1.0
  O  O11  1  0.198  0.698  0.424  1.0
  O  O12  1  0.799  0.688  0.926  1.0
  O  O13  1  0.378  0.510  0.735  1.0
  O  O14  1  0.627  0.516  0.256  1.0
  O  O15  1  0.186  0.329  0.048  1.0
  O  O16  1  0.802  0.320  0.557  1.0
  O  O17  1  0.690  0.204  0.931  1.0
  O  O18  1  0.878  0.026  0.260  1.0
  O  O19  1  0.678  0.817  0.558  1.0
[/CIF]
.
The material described by Li4VFe(TeO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Te site, Te(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one V(1), and one Te(1) atom to form distorted OLi2VTe tetrahedra that share  a cornercorner with one O(11)Li2FeTe tetrahedra,  a cornercorner with one O(3)Li2FeTe tetrahedra,  a cornercorner with one O(8)Li2FeTe tetrahedra,  an edgeedge with one O(11)Li2FeTe tetrahedra, and edges with two equivalent O(4)Li2VTe tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra,  a cornercorner with one O(4)Li2VTe tetrahedra, corners with two equivalent O(11)Li2FeTe tetrahedra, corners with two equivalent O(8)Li2FeTe tetrahedra,  a cornercorner with one O(5)Li2FeTe trigonal pyramid, and  an edgeedge with one O(5)Li2FeTe trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), and one Te(1) atom to form distorted OLi2VTe tetrahedra that share  a cornercorner with one O(3)Li2FeTe tetrahedra,  a cornercorner with one O(8)Li2FeTe tetrahedra, corners with three equivalent O(11)Li2FeTe tetrahedra, and edges with two equivalent O(1)Li2VTe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeTe trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra,  a cornercorner with one O(4)Li2VTe tetrahedra, corners with two equivalent O(3)Li2FeTe tetrahedra, corners with three equivalent O(5)Li2FeTe trigonal pyramids, and  an edgeedge with one O(11)Li2FeTe tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Fe(1), and one Te(1) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(1)Li2VTe tetrahedra, corners with two equivalent O(3)Li2FeTe tetrahedra, corners with three equivalent O(4)Li2VTe tetrahedra,  a cornercorner with one O(5)Li2FeTe trigonal pyramid,  an edgeedge with one O(8)Li2FeTe tetrahedra, and  an edgeedge with one O(1)Li2VTe tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4VFe(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.381
_cell_length_c   7.468
_cell_angle_alpha   93.738
_cell_angle_beta   90.073
_cell_angle_gamma   90.292
_symmetry_Int_Tables_number   1
_cell_volume   205.526
_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  0.004  0.437  0.272  1.0
  Li  Li1  1  0.499  0.939  0.791  1.0
  Li  Li2  1  0.996  0.406  0.802  1.0
  Li  Li3  1  0.498  0.954  0.270  1.0
  V  V4  1  0.503  0.486  0.512  1.0
  Fe  Fe5  1  0.999  0.989  0.003  1.0
  Te  Te6  1  0.999  0.987  0.499  1.0
  Te  Te7  1  0.506  0.500  0.010  1.0
  O  O8  1  0.304  0.210  0.432  1.0
  O  O9  1  0.123  0.023  0.739  1.0
  O  O10  1  0.332  0.818  0.045  1.0
  O  O11  1  0.198  0.698  0.424  1.0
  O  O12  1  0.799  0.688  0.926  1.0
  O  O13  1  0.378  0.510  0.735  1.0
  O  O14  1  0.627  0.516  0.256  1.0
  O  O15  1  0.186  0.329  0.048  1.0
  O  O16  1  0.802  0.320  0.557  1.0
  O  O17  1  0.690  0.204  0.931  1.0
  O  O18  1  0.878  0.026  0.260  1.0
  O  O19  1  0.678  0.817  0.558  1.0
[/CIF]
.