The crystal structure described by NiCu2TeO6 is Hausmannite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), 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  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Cu(1), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Cu(1), one Cu(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Cu(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Cu(3), one Cu(4), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Cu(2), one Cu(4), and one Te(1) atom. In the sixth 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. is represented by the CIF file [CIF]
data_Cu2NiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.369
_cell_length_b   8.369
_cell_length_c   8.369
_cell_angle_alpha   109.640
_cell_angle_beta   109.537
_cell_angle_gamma   109.236
_symmetry_Int_Tables_number   1
_cell_volume   451.252
_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  0.777  0.527  0.250  1.0
  Cu  Cu1  1  0.723  0.973  0.750  1.0
  Cu  Cu2  1  0.972  0.750  0.722  1.0
  Cu  Cu3  1  0.528  0.250  0.778  1.0
  Cu  Cu4  1  0.750  0.779  0.029  1.0
  Cu  Cu5  1  0.250  0.721  0.471  1.0
  Cu  Cu6  1  0.220  0.470  0.750  1.0
  Cu  Cu7  1  0.280  0.030  0.250  1.0
  Ni  Ni8  1  0.040  0.250  0.290  1.0
  Ni  Ni9  1  0.460  0.750  0.210  1.0
  Ni  Ni10  1  0.250  0.211  0.961  1.0
  Ni  Ni11  1  0.750  0.289  0.539  1.0
  Te  Te12  1  0.003  0.504  0.004  1.0
  Te  Te13  1  0.500  0.996  0.999  1.0
  Te  Te14  1  0.497  0.501  0.501  1.0
  Te  Te15  1  0.000  0.999  0.496  1.0
  O  O16  1  0.725  0.515  0.458  1.0
  O  O17  1  0.943  0.985  0.709  1.0
  O  O18  1  0.775  0.234  0.791  1.0
  O  O19  1  0.557  0.266  0.042  1.0
  O  O20  1  0.764  0.041  0.069  1.0
  O  O21  1  0.736  0.805  0.277  1.0
  O  O22  1  0.472  0.695  0.431  1.0
  O  O23  1  0.028  0.459  0.223  1.0
  O  O24  1  0.208  0.443  0.982  1.0
  O  O25  1  0.962  0.226  0.518  1.0
  O  O26  1  0.538  0.057  0.265  1.0
  O  O27  1  0.292  0.274  0.235  1.0
  O  O28  1  0.280  0.478  0.547  1.0
  O  O29  1  0.070  0.022  0.302  1.0
  O  O30  1  0.220  0.768  0.198  1.0
  O  O31  1  0.430  0.732  0.953  1.0
  O  O32  1  0.235  0.954  0.929  1.0
  O  O33  1  0.265  0.194  0.720  1.0
  O  O34  1  0.525  0.306  0.571  1.0
  O  O35  1  0.975  0.546  0.780  1.0
  O  O36  1  0.799  0.566  0.028  1.0
  O  O37  1  0.037  0.770  0.472  1.0
  O  O38  1  0.463  0.934  0.733  1.0
  O  O39  1  0.701  0.730  0.767  1.0
[/CIF]
.
The crystal structure described by NiCu2TeO6 is Hausmannite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), 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  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Cu(1), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Cu(1), one Cu(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Cu(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Cu(3), one Cu(4), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), one Cu(2), one Cu(4), and one Te(1) atom. In the sixth 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. is represented by the CIF file [CIF]
data_Cu2NiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.369
_cell_length_b   8.369
_cell_length_c   8.369
_cell_angle_alpha   109.640
_cell_angle_beta   109.537
_cell_angle_gamma   109.236
_symmetry_Int_Tables_number   1
_cell_volume   451.252
_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  0.777  0.527  0.250  1.0
  Cu  Cu1  1  0.723  0.973  0.750  1.0
  Cu  Cu2  1  0.972  0.750  0.722  1.0
  Cu  Cu3  1  0.528  0.250  0.778  1.0
  Cu  Cu4  1  0.750  0.779  0.029  1.0
  Cu  Cu5  1  0.250  0.721  0.471  1.0
  Cu  Cu6  1  0.220  0.470  0.750  1.0
  Cu  Cu7  1  0.280  0.030  0.250  1.0
  Ni  Ni8  1  0.040  0.250  0.290  1.0
  Ni  Ni9  1  0.460  0.750  0.210  1.0
  Ni  Ni10  1  0.250  0.211  0.961  1.0
  Ni  Ni11  1  0.750  0.289  0.539  1.0
  Te  Te12  1  0.003  0.504  0.004  1.0
  Te  Te13  1  0.500  0.996  0.999  1.0
  Te  Te14  1  0.497  0.501  0.501  1.0
  Te  Te15  1  0.000  0.999  0.496  1.0
  O  O16  1  0.725  0.515  0.458  1.0
  O  O17  1  0.943  0.985  0.709  1.0
  O  O18  1  0.775  0.234  0.791  1.0
  O  O19  1  0.557  0.266  0.042  1.0
  O  O20  1  0.764  0.041  0.069  1.0
  O  O21  1  0.736  0.805  0.277  1.0
  O  O22  1  0.472  0.695  0.431  1.0
  O  O23  1  0.028  0.459  0.223  1.0
  O  O24  1  0.208  0.443  0.982  1.0
  O  O25  1  0.962  0.226  0.518  1.0
  O  O26  1  0.538  0.057  0.265  1.0
  O  O27  1  0.292  0.274  0.235  1.0
  O  O28  1  0.280  0.478  0.547  1.0
  O  O29  1  0.070  0.022  0.302  1.0
  O  O30  1  0.220  0.768  0.198  1.0
  O  O31  1  0.430  0.732  0.953  1.0
  O  O32  1  0.235  0.954  0.929  1.0
  O  O33  1  0.265  0.194  0.720  1.0
  O  O34  1  0.525  0.306  0.571  1.0
  O  O35  1  0.975  0.546  0.780  1.0
  O  O36  1  0.799  0.566  0.028  1.0
  O  O37  1  0.037  0.770  0.472  1.0
  O  O38  1  0.463  0.934  0.733  1.0
  O  O39  1  0.701  0.730  0.767  1.0
[/CIF]
.