The crystal structure described by Li2Fe3TeO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(3)LiFe2Te trigonal pyramids, and  an edgeedge with one O(3)LiFe2Te trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Te(1) atom to form distorted OLiFe2Te trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(3)LiFe2Te trigonal pyramids, and  an edgeedge with one O(1)LiFe3 tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.074
_cell_length_c   6.135
_cell_angle_alpha   61.725
_cell_angle_beta   60.554
_cell_angle_gamma   60.403
_symmetry_Int_Tables_number   1
_cell_volume   162.208
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.500  1.000  1.000  1.0
  Fe  Fe2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.135  0.148  0.582  1.0
  Li  Li4  1  0.865  0.852  0.418  1.0
  O  O5  1  0.261  0.286  0.190  1.0
  O  O6  1  0.739  0.714  0.810  1.0
  O  O7  1  0.719  0.281  0.732  1.0
  O  O8  1  0.268  0.721  0.743  1.0
  O  O9  1  0.268  0.282  0.730  1.0
  O  O10  1  0.732  0.718  0.270  1.0
  O  O11  1  0.732  0.279  0.257  1.0
  O  O12  1  0.281  0.719  0.268  1.0
  Te  Te13  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Li2Fe3TeO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(3)LiFe2Te trigonal pyramids, and  an edgeedge with one O(3)LiFe2Te trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Te(1) atom to form distorted OLiFe2Te trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with three equivalent O(3)LiFe2Te trigonal pyramids, and  an edgeedge with one O(1)LiFe3 tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.074
_cell_length_c   6.135
_cell_angle_alpha   61.725
_cell_angle_beta   60.554
_cell_angle_gamma   60.403
_symmetry_Int_Tables_number   1
_cell_volume   162.208
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.500  1.000  1.000  1.0
  Fe  Fe2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.135  0.148  0.582  1.0
  Li  Li4  1  0.865  0.852  0.418  1.0
  O  O5  1  0.261  0.286  0.190  1.0
  O  O6  1  0.739  0.714  0.810  1.0
  O  O7  1  0.719  0.281  0.732  1.0
  O  O8  1  0.268  0.721  0.743  1.0
  O  O9  1  0.268  0.282  0.730  1.0
  O  O10  1  0.732  0.718  0.270  1.0
  O  O11  1  0.732  0.279  0.257  1.0
  O  O12  1  0.281  0.719  0.268  1.0
  Te  Te13  1  0.500  0.500  0.500  1.0
[/CIF]
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