The material structure described by Cu3TeO8 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(6), one O(8), and two equivalent O(7) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-66°. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and edges with three equivalent Cu(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(3) and one Te(1) atom. In the second O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(3), and one Te(1) atom. In the third O site, O(7) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the seventh O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the eighth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Cu3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.775
_cell_length_b   9.235
_cell_length_c   9.142
_cell_angle_alpha   90.000
_cell_angle_beta   101.457
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.366
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.632  0.581  0.613  1.0
  Cu  Cu1  1  0.132  0.919  0.113  1.0
  Cu  Cu2  1  0.368  0.419  0.387  1.0
  Cu  Cu3  1  0.868  0.081  0.887  1.0
  Cu  Cu4  1  0.149  0.578  0.614  1.0
  Cu  Cu5  1  0.649  0.922  0.114  1.0
  Cu  Cu6  1  0.851  0.422  0.386  1.0
  Cu  Cu7  1  0.351  0.078  0.886  1.0
  Cu  Cu8  1  0.124  0.917  0.621  1.0
  Cu  Cu9  1  0.624  0.583  0.121  1.0
  Cu  Cu10  1  0.876  0.083  0.379  1.0
  Cu  Cu11  1  0.376  0.417  0.879  1.0
  Te  Te12  1  0.888  0.741  0.361  1.0
  Te  Te13  1  0.388  0.759  0.861  1.0
  Te  Te14  1  0.112  0.259  0.639  1.0
  Te  Te15  1  0.612  0.241  0.139  1.0
  O  O16  1  0.360  0.238  0.756  1.0
  O  O17  1  0.860  0.262  0.256  1.0
  O  O18  1  0.640  0.762  0.244  1.0
  O  O19  1  0.140  0.738  0.744  1.0
  O  O20  1  0.370  0.206  0.049  1.0
  O  O21  1  0.870  0.294  0.549  1.0
  O  O22  1  0.630  0.794  0.951  1.0
  O  O23  1  0.130  0.706  0.451  1.0
  O  O24  1  0.361  0.940  0.733  1.0
  O  O25  1  0.861  0.560  0.233  1.0
  O  O26  1  0.639  0.060  0.267  1.0
  O  O27  1  0.139  0.440  0.767  1.0
  O  O28  1  0.331  0.910  0.006  1.0
  O  O29  1  0.831  0.590  0.506  1.0
  O  O30  1  0.669  0.090  0.994  1.0
  O  O31  1  0.169  0.410  0.494  1.0
  O  O32  1  0.878  0.901  0.500  1.0
  O  O33  1  0.378  0.599  1.000  1.0
  O  O34  1  0.122  0.099  0.500  1.0
  O  O35  1  0.622  0.401  0.000  1.0
  O  O36  1  0.945  0.882  0.222  1.0
  O  O37  1  0.445  0.618  0.722  1.0
  O  O38  1  0.055  0.118  0.778  1.0
  O  O39  1  0.555  0.382  0.278  1.0
  O  O40  1  0.976  0.885  0.944  1.0
  O  O41  1  0.476  0.615  0.444  1.0
  O  O42  1  0.024  0.115  0.056  1.0
  O  O43  1  0.524  0.385  0.556  1.0
  O  O44  1  0.283  0.940  0.279  1.0
  O  O45  1  0.783  0.560  0.779  1.0
  O  O46  1  0.717  0.060  0.721  1.0
  O  O47  1  0.217  0.440  0.221  1.0
[/CIF]
.
The material structure described by Cu3TeO8 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(6), one O(8), and two equivalent O(7) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-66°. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids,  an edgeedge with one Cu(2)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and edges with three equivalent Cu(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(3) and one Te(1) atom. In the second O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(3), and one Te(1) atom. In the third O site, O(7) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the seventh O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the eighth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Cu3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.775
_cell_length_b   9.235
_cell_length_c   9.142
_cell_angle_alpha   90.000
_cell_angle_beta   101.457
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.366
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.632  0.581  0.613  1.0
  Cu  Cu1  1  0.132  0.919  0.113  1.0
  Cu  Cu2  1  0.368  0.419  0.387  1.0
  Cu  Cu3  1  0.868  0.081  0.887  1.0
  Cu  Cu4  1  0.149  0.578  0.614  1.0
  Cu  Cu5  1  0.649  0.922  0.114  1.0
  Cu  Cu6  1  0.851  0.422  0.386  1.0
  Cu  Cu7  1  0.351  0.078  0.886  1.0
  Cu  Cu8  1  0.124  0.917  0.621  1.0
  Cu  Cu9  1  0.624  0.583  0.121  1.0
  Cu  Cu10  1  0.876  0.083  0.379  1.0
  Cu  Cu11  1  0.376  0.417  0.879  1.0
  Te  Te12  1  0.888  0.741  0.361  1.0
  Te  Te13  1  0.388  0.759  0.861  1.0
  Te  Te14  1  0.112  0.259  0.639  1.0
  Te  Te15  1  0.612  0.241  0.139  1.0
  O  O16  1  0.360  0.238  0.756  1.0
  O  O17  1  0.860  0.262  0.256  1.0
  O  O18  1  0.640  0.762  0.244  1.0
  O  O19  1  0.140  0.738  0.744  1.0
  O  O20  1  0.370  0.206  0.049  1.0
  O  O21  1  0.870  0.294  0.549  1.0
  O  O22  1  0.630  0.794  0.951  1.0
  O  O23  1  0.130  0.706  0.451  1.0
  O  O24  1  0.361  0.940  0.733  1.0
  O  O25  1  0.861  0.560  0.233  1.0
  O  O26  1  0.639  0.060  0.267  1.0
  O  O27  1  0.139  0.440  0.767  1.0
  O  O28  1  0.331  0.910  0.006  1.0
  O  O29  1  0.831  0.590  0.506  1.0
  O  O30  1  0.669  0.090  0.994  1.0
  O  O31  1  0.169  0.410  0.494  1.0
  O  O32  1  0.878  0.901  0.500  1.0
  O  O33  1  0.378  0.599  1.000  1.0
  O  O34  1  0.122  0.099  0.500  1.0
  O  O35  1  0.622  0.401  0.000  1.0
  O  O36  1  0.945  0.882  0.222  1.0
  O  O37  1  0.445  0.618  0.722  1.0
  O  O38  1  0.055  0.118  0.778  1.0
  O  O39  1  0.555  0.382  0.278  1.0
  O  O40  1  0.976  0.885  0.944  1.0
  O  O41  1  0.476  0.615  0.444  1.0
  O  O42  1  0.024  0.115  0.056  1.0
  O  O43  1  0.524  0.385  0.556  1.0
  O  O44  1  0.283  0.940  0.279  1.0
  O  O45  1  0.783  0.560  0.779  1.0
  O  O46  1  0.717  0.060  0.721  1.0
  O  O47  1  0.217  0.440  0.221  1.0
[/CIF]
.