The structure described by Li4Nb3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Te(1) atom to form corner-sharing OLiCu2Te tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Cu(1) atoms to form corner-sharing OLiNbCu2 tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), two equivalent Nb(2), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), two equivalent Nb(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Cu(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Nb3Cu3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   6.240
_cell_length_c   10.585
_cell_angle_alpha   89.336
_cell_angle_beta   89.336
_cell_angle_gamma   58.479
_symmetry_Int_Tables_number   1
_cell_volume   351.320
_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  0.666  0.666  0.905  1.0
  Li  Li1  1  0.001  0.001  0.001  1.0
  Li  Li2  1  0.008  0.008  0.478  1.0
  Li  Li3  1  0.342  0.342  0.401  1.0
  Nb  Nb4  1  0.819  0.819  0.236  1.0
  Nb  Nb5  1  0.657  0.159  0.719  1.0
  Nb  Nb6  1  0.159  0.657  0.719  1.0
  Cu  Cu7  1  0.828  0.338  0.212  1.0
  Cu  Cu8  1  0.338  0.828  0.212  1.0
  Cu  Cu9  1  0.167  0.167  0.720  1.0
  Te  Te10  1  0.639  0.639  0.492  1.0
  Te  Te11  1  0.326  0.326  0.017  1.0
  O  O12  1  0.812  0.316  0.585  1.0
  O  O13  1  0.522  0.522  0.356  1.0
  O  O14  1  0.669  0.669  0.120  1.0
  O  O15  1  0.999  0.999  0.290  1.0
  O  O16  1  0.001  0.001  0.811  1.0
  O  O17  1  0.316  0.812  0.585  1.0
  O  O18  1  0.995  0.537  0.341  1.0
  O  O19  1  0.537  0.995  0.341  1.0
  O  O20  1  0.164  0.164  0.095  1.0
  O  O21  1  0.860  0.860  0.608  1.0
  O  O22  1  0.527  0.008  0.822  1.0
  O  O23  1  0.008  0.527  0.822  1.0
  O  O24  1  0.344  0.344  0.610  1.0
  O  O25  1  0.655  0.152  0.098  1.0
  O  O26  1  0.491  0.491  0.815  1.0
  O  O27  1  0.152  0.655  0.098  1.0
[/CIF]
.
The structure described by Li4Nb3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Te(1) atom to form corner-sharing OLiCu2Te tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Cu(1) atoms to form corner-sharing OLiNbCu2 tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), two equivalent Nb(2), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), two equivalent Nb(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Cu(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Nb3Cu3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   6.240
_cell_length_c   10.585
_cell_angle_alpha   89.336
_cell_angle_beta   89.336
_cell_angle_gamma   58.479
_symmetry_Int_Tables_number   1
_cell_volume   351.320
_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  0.666  0.666  0.905  1.0
  Li  Li1  1  0.001  0.001  0.001  1.0
  Li  Li2  1  0.008  0.008  0.478  1.0
  Li  Li3  1  0.342  0.342  0.401  1.0
  Nb  Nb4  1  0.819  0.819  0.236  1.0
  Nb  Nb5  1  0.657  0.159  0.719  1.0
  Nb  Nb6  1  0.159  0.657  0.719  1.0
  Cu  Cu7  1  0.828  0.338  0.212  1.0
  Cu  Cu8  1  0.338  0.828  0.212  1.0
  Cu  Cu9  1  0.167  0.167  0.720  1.0
  Te  Te10  1  0.639  0.639  0.492  1.0
  Te  Te11  1  0.326  0.326  0.017  1.0
  O  O12  1  0.812  0.316  0.585  1.0
  O  O13  1  0.522  0.522  0.356  1.0
  O  O14  1  0.669  0.669  0.120  1.0
  O  O15  1  0.999  0.999  0.290  1.0
  O  O16  1  0.001  0.001  0.811  1.0
  O  O17  1  0.316  0.812  0.585  1.0
  O  O18  1  0.995  0.537  0.341  1.0
  O  O19  1  0.537  0.995  0.341  1.0
  O  O20  1  0.164  0.164  0.095  1.0
  O  O21  1  0.860  0.860  0.608  1.0
  O  O22  1  0.527  0.008  0.822  1.0
  O  O23  1  0.008  0.527  0.822  1.0
  O  O24  1  0.344  0.344  0.610  1.0
  O  O25  1  0.655  0.152  0.098  1.0
  O  O26  1  0.491  0.491  0.815  1.0
  O  O27  1  0.152  0.655  0.098  1.0
[/CIF]
.