The crystal structure described by Li2Fe3TeO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) 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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Fe(1) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with nine equivalent O(2)LiFe2Te trigonal pyramids, and edges with three equivalent O(2)LiFe2Te trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Te(1) atom to form distorted OLiFe2Te trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with nine equivalent O(2)LiFe2Te trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra, and edges with two equivalent O(2)LiFe2Te trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   6.186
_cell_length_c   6.191
_cell_angle_alpha   58.469
_cell_angle_beta   58.493
_cell_angle_gamma   58.552
_symmetry_Int_Tables_number   1
_cell_volume   161.738
_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  0.137  0.137  0.137  1.0
  Li  Li1  1  0.863  0.863  0.863  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  1.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  1.000  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.268  0.268  0.268  1.0
  O  O7  1  0.269  0.269  0.719  1.0
  O  O8  1  0.269  0.719  0.269  1.0
  O  O9  1  0.719  0.269  0.269  1.0
  O  O10  1  0.281  0.731  0.731  1.0
  O  O11  1  0.731  0.281  0.731  1.0
  O  O12  1  0.731  0.731  0.281  1.0
  O  O13  1  0.732  0.732  0.732  1.0
[/CIF]
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The crystal structure described by Li2Fe3TeO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) 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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Fe(1) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with nine equivalent O(2)LiFe2Te trigonal pyramids, and edges with three equivalent O(2)LiFe2Te trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Te(1) atom to form distorted OLiFe2Te trigonal pyramids that share corners with three equivalent O(1)LiFe3 tetrahedra, corners with nine equivalent O(2)LiFe2Te trigonal pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra, and edges with two equivalent O(2)LiFe2Te trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   6.186
_cell_length_c   6.191
_cell_angle_alpha   58.469
_cell_angle_beta   58.493
_cell_angle_gamma   58.552
_symmetry_Int_Tables_number   1
_cell_volume   161.738
_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  0.137  0.137  0.137  1.0
  Li  Li1  1  0.863  0.863  0.863  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  1.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  1.000  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.268  0.268  0.268  1.0
  O  O7  1  0.269  0.269  0.719  1.0
  O  O8  1  0.269  0.719  0.269  1.0
  O  O9  1  0.719  0.269  0.269  1.0
  O  O10  1  0.281  0.731  0.731  1.0
  O  O11  1  0.731  0.281  0.731  1.0
  O  O12  1  0.731  0.731  0.281  1.0
  O  O13  1  0.732  0.732  0.732  1.0
[/CIF]
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