The structure described by Li4ZrNb(TeO6)2 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(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form ZrO6 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 39-40°. Nb(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form NbO6 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 39-40°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Nb(1), and one Te(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Nb(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Zr(1), and one Te(2) atom to form distorted corner-sharing OLi2ZrTe tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Zr(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLi2ZrTe tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Zr(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLi2ZrTe tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Zr(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Zr(1), and one Te(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Zr(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4ZrNb(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.573
_cell_length_c   7.655
_cell_angle_alpha   94.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   223.799
_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  0.497  0.941  0.780  1.0
  Li  Li1  1  0.505  0.947  0.277  1.0
  Li  Li2  1  0.001  0.437  0.279  1.0
  Li  Li3  1  0.997  0.442  0.779  1.0
  Zr  Zr4  1  0.001  0.993  0.003  1.0
  Nb  Nb5  1  0.499  0.494  0.503  1.0
  Te  Te6  1  0.501  0.497  0.002  1.0
  Te  Te7  1  0.999  0.993  0.502  1.0
  O  O8  1  0.817  0.330  0.558  1.0
  O  O9  1  0.630  0.511  0.243  1.0
  O  O10  1  0.674  0.823  0.557  1.0
  O  O11  1  0.869  0.020  0.256  1.0
  O  O12  1  0.793  0.681  0.926  1.0
  O  O13  1  0.335  0.808  0.058  1.0
  O  O14  1  0.681  0.204  0.928  1.0
  O  O15  1  0.131  0.013  0.746  1.0
  O  O16  1  0.195  0.331  0.060  1.0
  O  O17  1  0.371  0.511  0.754  1.0
  O  O18  1  0.315  0.195  0.430  1.0
  O  O19  1  0.189  0.687  0.431  1.0
[/CIF]
.
The structure described by Li4ZrNb(TeO6)2 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(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form ZrO6 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 39-40°. Nb(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom to form NbO6 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 39-40°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the second Te site, Te(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Nb(1), and one Te(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Nb(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Zr(1), and one Te(2) atom to form distorted corner-sharing OLi2ZrTe tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Zr(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLi2ZrTe tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Zr(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OLi2ZrTe tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Zr(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Zr(1), and one Te(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Zr(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_Li4ZrNb(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.573
_cell_length_c   7.655
_cell_angle_alpha   94.593
_cell_angle_beta   90.000
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   223.799
_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  0.497  0.941  0.780  1.0
  Li  Li1  1  0.505  0.947  0.277  1.0
  Li  Li2  1  0.001  0.437  0.279  1.0
  Li  Li3  1  0.997  0.442  0.779  1.0
  Zr  Zr4  1  0.001  0.993  0.003  1.0
  Nb  Nb5  1  0.499  0.494  0.503  1.0
  Te  Te6  1  0.501  0.497  0.002  1.0
  Te  Te7  1  0.999  0.993  0.502  1.0
  O  O8  1  0.817  0.330  0.558  1.0
  O  O9  1  0.630  0.511  0.243  1.0
  O  O10  1  0.674  0.823  0.557  1.0
  O  O11  1  0.869  0.020  0.256  1.0
  O  O12  1  0.793  0.681  0.926  1.0
  O  O13  1  0.335  0.808  0.058  1.0
  O  O14  1  0.681  0.204  0.928  1.0
  O  O15  1  0.131  0.013  0.746  1.0
  O  O16  1  0.195  0.331  0.060  1.0
  O  O17  1  0.371  0.511  0.754  1.0
  O  O18  1  0.315  0.195  0.430  1.0
  O  O19  1  0.189  0.687  0.431  1.0
[/CIF]
.