The material structure described by Li2FeTeO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Li2FeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.134
_cell_length_c   5.401
_cell_angle_alpha   118.319
_cell_angle_beta   90.022
_cell_angle_gamma   119.705
_symmetry_Int_Tables_number   1
_cell_volume   103.418
_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  0.719  0.433  0.142  1.0
  Li  Li1  1  0.206  0.413  0.622  1.0
  Fe  Fe2  1  0.997  0.992  0.990  1.0
  Te  Te3  1  0.499  0.998  0.497  1.0
  O  O4  1  0.618  0.490  0.769  1.0
  O  O5  1  0.765  0.150  0.276  1.0
  O  O6  1  0.874  0.153  0.772  1.0
  O  O7  1  0.127  0.897  0.280  1.0
  O  O8  1  0.273  0.890  0.766  1.0
  O  O9  1  0.387  0.513  0.278  1.0
[/CIF]
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The material structure described by Li2FeTeO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Li2FeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.134
_cell_length_c   5.401
_cell_angle_alpha   118.319
_cell_angle_beta   90.022
_cell_angle_gamma   119.705
_symmetry_Int_Tables_number   1
_cell_volume   103.418
_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  0.719  0.433  0.142  1.0
  Li  Li1  1  0.206  0.413  0.622  1.0
  Fe  Fe2  1  0.997  0.992  0.990  1.0
  Te  Te3  1  0.499  0.998  0.497  1.0
  O  O4  1  0.618  0.490  0.769  1.0
  O  O5  1  0.765  0.150  0.276  1.0
  O  O6  1  0.874  0.153  0.772  1.0
  O  O7  1  0.127  0.897  0.280  1.0
  O  O8  1  0.273  0.890  0.766  1.0
  O  O9  1  0.387  0.513  0.278  1.0
[/CIF]
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