The structure described by Li2FeTeO6 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(3), one O(6), one O(7), 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(4), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share 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 38-41°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are twelve 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(3), one Fe(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(2), 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(3), one Fe(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) 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 sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(4), one Fe(2), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(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(2), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li2FeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.121
_cell_length_c   5.381
_cell_angle_alpha   118.186
_cell_angle_beta   90.140
_cell_angle_gamma   118.868
_symmetry_Int_Tables_number   1
_cell_volume   103.363
_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  0.998  0.991  0.991  1.0
  Li  Li1  1  0.719  0.432  0.142  1.0
  Li  Li2  1  0.203  0.412  0.619  1.0
  O  O3  1  0.620  0.486  0.763  1.0
  O  O4  1  0.875  0.156  0.778  1.0
  O  O5  1  0.271  0.891  0.768  1.0
  O  O6  1  0.766  0.148  0.274  1.0
  O  O7  1  0.125  0.897  0.278  1.0
  O  O8  1  0.390  0.518  0.282  1.0
  Te  Te9  1  0.498  0.997  0.496  1.0
[/CIF]
.
The structure described by Li2FeTeO6 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(3), one O(6), one O(7), 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(4), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share 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 38-41°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are twelve 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(3), one Fe(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(2), 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(3), one Fe(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(1) atom. In the fifth O site, O(5) 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 sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(4), one Fe(2), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(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(2), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li2FeTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.121
_cell_length_c   5.381
_cell_angle_alpha   118.186
_cell_angle_beta   90.140
_cell_angle_gamma   118.868
_symmetry_Int_Tables_number   1
_cell_volume   103.363
_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  0.998  0.991  0.991  1.0
  Li  Li1  1  0.719  0.432  0.142  1.0
  Li  Li2  1  0.203  0.412  0.619  1.0
  O  O3  1  0.620  0.486  0.763  1.0
  O  O4  1  0.875  0.156  0.778  1.0
  O  O5  1  0.271  0.891  0.768  1.0
  O  O6  1  0.766  0.148  0.274  1.0
  O  O7  1  0.125  0.897  0.278  1.0
  O  O8  1  0.390  0.518  0.282  1.0
  Te  Te9  1  0.498  0.997  0.496  1.0
[/CIF]
.