The material described by Li3Cu(TeO3)4 is pyrite-derived structured and 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(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, edges with two equivalent Te(4)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(4)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  a faceface with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. Cu(1) is bonded in a trigonal planar geometry to one O(4), one O(7), and one O(8) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(4)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-66°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, corners with four equivalent Te(3)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-64°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the fourth Te site, Te(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Te(1), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra, corners with two equivalent O(6)Li2Te2 trigonal pyramids, corners with three equivalent O(5)Li2Te2 trigonal pyramids, and  an edgeedge with one O(8)LiCuTe2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Te(1), and one Te(4) atom. In the fourth O site, O(4) is bonded to one Li(3), one Cu(1), one Te(2), and one Te(3) atom to form distorted OLiCuTe2 tetrahedra that share  a cornercorner with one O(2)Li2Te2 trigonal pyramid,  a cornercorner with one O(6)Li2Te2 trigonal pyramid, and  a cornercorner with one O(8)LiCuTe2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Te(1), and one Te(4) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(6)Li2Te2 trigonal pyramid, corners with three equivalent O(2)Li2Te2 trigonal pyramids, corners with three equivalent O(8)LiCuTe2 trigonal pyramids, and  an edgeedge with one O(6)Li2Te2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(2), and one Te(4) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra,  a cornercorner with one O(5)Li2Te2 trigonal pyramid, corners with two equivalent O(2)Li2Te2 trigonal pyramids,  an edgeedge with one O(5)Li2Te2 trigonal pyramid, and  an edgeedge with one O(8)LiCuTe2 trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Cu(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded to one Li(2), one Cu(1), one Te(1), and one Te(4) atom to form distorted OLiCuTe2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra, corners with three equivalent O(5)Li2Te2 trigonal pyramids,  an edgeedge with one O(2)Li2Te2 trigonal pyramid, and  an edgeedge with one O(6)Li2Te2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Te(1), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_Li3Cu(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.715
_cell_length_c   7.841
_cell_angle_alpha   83.948
_cell_angle_beta   89.797
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   236.543
_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  0.501  0.954  0.226  1.0
  Li  Li1  1  0.997  0.416  0.207  1.0
  Li  Li2  1  0.502  0.914  0.708  1.0
  Cu  Cu3  1  0.999  0.492  0.747  1.0
  Te  Te4  1  0.000  0.995  0.002  1.0
  Te  Te5  1  0.495  0.487  0.494  1.0
  Te  Te6  1  0.007  0.011  0.501  1.0
  Te  Te7  1  0.494  0.513  0.014  1.0
  O  O8  1  0.699  0.186  0.572  1.0
  O  O9  1  0.868  0.032  0.264  1.0
  O  O10  1  0.659  0.835  0.958  1.0
  O  O11  1  0.824  0.722  0.583  1.0
  O  O12  1  0.200  0.696  0.096  1.0
  O  O13  1  0.637  0.535  0.253  1.0
  O  O14  1  0.363  0.548  0.783  1.0
  O  O15  1  0.813  0.365  0.958  1.0
  O  O16  1  0.162  0.327  0.433  1.0
  O  O17  1  0.323  0.225  0.092  1.0
  O  O18  1  0.140  0.033  0.735  1.0
  O  O19  1  0.316  0.855  0.444  1.0
[/CIF]
.
The material described by Li3Cu(TeO3)4 is pyrite-derived structured and 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(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, edges with two equivalent Te(4)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(4)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  a faceface with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. Cu(1) is bonded in a trigonal planar geometry to one O(4), one O(7), and one O(8) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(4)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-66°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, corners with four equivalent Te(3)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-64°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the fourth Te site, Te(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Te(1), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra, corners with two equivalent O(6)Li2Te2 trigonal pyramids, corners with three equivalent O(5)Li2Te2 trigonal pyramids, and  an edgeedge with one O(8)LiCuTe2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Te(1), and one Te(4) atom. In the fourth O site, O(4) is bonded to one Li(3), one Cu(1), one Te(2), and one Te(3) atom to form distorted OLiCuTe2 tetrahedra that share  a cornercorner with one O(2)Li2Te2 trigonal pyramid,  a cornercorner with one O(6)Li2Te2 trigonal pyramid, and  a cornercorner with one O(8)LiCuTe2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Te(1), and one Te(4) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(6)Li2Te2 trigonal pyramid, corners with three equivalent O(2)Li2Te2 trigonal pyramids, corners with three equivalent O(8)LiCuTe2 trigonal pyramids, and  an edgeedge with one O(6)Li2Te2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(2), and one Te(4) atom to form distorted OLi2Te2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra,  a cornercorner with one O(5)Li2Te2 trigonal pyramid, corners with two equivalent O(2)Li2Te2 trigonal pyramids,  an edgeedge with one O(5)Li2Te2 trigonal pyramid, and  an edgeedge with one O(8)LiCuTe2 trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Cu(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded to one Li(2), one Cu(1), one Te(1), and one Te(4) atom to form distorted OLiCuTe2 trigonal pyramids that share  a cornercorner with one O(4)LiCuTe2 tetrahedra, corners with three equivalent O(5)Li2Te2 trigonal pyramids,  an edgeedge with one O(2)Li2Te2 trigonal pyramid, and  an edgeedge with one O(6)Li2Te2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Te(1), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_Li3Cu(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.715
_cell_length_c   7.841
_cell_angle_alpha   83.948
_cell_angle_beta   89.797
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   236.543
_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  0.501  0.954  0.226  1.0
  Li  Li1  1  0.997  0.416  0.207  1.0
  Li  Li2  1  0.502  0.914  0.708  1.0
  Cu  Cu3  1  0.999  0.492  0.747  1.0
  Te  Te4  1  0.000  0.995  0.002  1.0
  Te  Te5  1  0.495  0.487  0.494  1.0
  Te  Te6  1  0.007  0.011  0.501  1.0
  Te  Te7  1  0.494  0.513  0.014  1.0
  O  O8  1  0.699  0.186  0.572  1.0
  O  O9  1  0.868  0.032  0.264  1.0
  O  O10  1  0.659  0.835  0.958  1.0
  O  O11  1  0.824  0.722  0.583  1.0
  O  O12  1  0.200  0.696  0.096  1.0
  O  O13  1  0.637  0.535  0.253  1.0
  O  O14  1  0.363  0.548  0.783  1.0
  O  O15  1  0.813  0.365  0.958  1.0
  O  O16  1  0.162  0.327  0.433  1.0
  O  O17  1  0.323  0.225  0.092  1.0
  O  O18  1  0.140  0.033  0.735  1.0
  O  O19  1  0.316  0.855  0.444  1.0
[/CIF]
.