The material structure described by Li3Nb3TeO12 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), 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(11), one O(5), one O(7), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-42°. In the third Nb site, Nb(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-42°. Te(1) is bonded to one O(1), one O(10), one O(6), one O(7), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Te(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Nb(2), and one Nb(3) 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 Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Nb(3) 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 Nb(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Nb(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Nb(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Nb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Nb3TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.509
_cell_length_c   7.641
_cell_angle_alpha   94.677
_cell_angle_beta   90.228
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   218.474
_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  0.498  0.008  0.249  1.0
  Li  Li1  1  0.000  0.509  0.745  1.0
  Li  Li2  1  0.998  0.500  0.251  1.0
  Nb  Nb3  1  0.509  0.582  0.967  1.0
  Nb  Nb4  1  0.496  0.567  0.475  1.0
  Nb  Nb5  1  0.999  0.065  0.466  1.0
  Te  Te6  1  0.001  0.082  0.959  1.0
  O  O7  1  0.817  0.786  0.887  1.0
  O  O8  1  0.684  0.907  0.491  1.0
  O  O9  1  0.619  0.605  0.201  1.0
  O  O10  1  0.307  0.285  0.384  1.0
  O  O11  1  0.823  0.414  0.506  1.0
  O  O12  1  0.870  0.109  0.196  1.0
  O  O13  1  0.184  0.395  0.012  1.0
  O  O14  1  0.715  0.294  0.891  1.0
  O  O15  1  0.108  0.101  0.712  1.0
  O  O16  1  0.305  0.906  0.021  1.0
  O  O17  1  0.371  0.590  0.707  1.0
  O  O18  1  0.193  0.783  0.387  1.0
[/CIF]
.
The material structure described by Li3Nb3TeO12 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), 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(11), one O(5), one O(7), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-42°. In the third Nb site, Nb(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-42°. Te(1) is bonded to one O(1), one O(10), one O(6), one O(7), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Te(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Nb(2), and one Nb(3) 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 Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Nb(3) 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 Nb(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Nb(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Nb(1), and one Te(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Te(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Nb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Nb3TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.509
_cell_length_c   7.641
_cell_angle_alpha   94.677
_cell_angle_beta   90.228
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   218.474
_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  0.498  0.008  0.249  1.0
  Li  Li1  1  0.000  0.509  0.745  1.0
  Li  Li2  1  0.998  0.500  0.251  1.0
  Nb  Nb3  1  0.509  0.582  0.967  1.0
  Nb  Nb4  1  0.496  0.567  0.475  1.0
  Nb  Nb5  1  0.999  0.065  0.466  1.0
  Te  Te6  1  0.001  0.082  0.959  1.0
  O  O7  1  0.817  0.786  0.887  1.0
  O  O8  1  0.684  0.907  0.491  1.0
  O  O9  1  0.619  0.605  0.201  1.0
  O  O10  1  0.307  0.285  0.384  1.0
  O  O11  1  0.823  0.414  0.506  1.0
  O  O12  1  0.870  0.109  0.196  1.0
  O  O13  1  0.184  0.395  0.012  1.0
  O  O14  1  0.715  0.294  0.891  1.0
  O  O15  1  0.108  0.101  0.712  1.0
  O  O16  1  0.305  0.906  0.021  1.0
  O  O17  1  0.371  0.590  0.707  1.0
  O  O18  1  0.193  0.783  0.387  1.0
[/CIF]
.