The crystal structure described by NiZnTe3O8 crystallizes in the monoclinic C2 space group. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(8) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and one O(8) atom. In the third Te site, Te(3) is bonded in a see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. In the fourth Te site, Te(4) is bonded in a see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Te(1) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Te(2) atom. In the third O site, O(1) is bonded to one Ni(1), one Zn(1), one Te(1), and one Te(2) atom to form distorted edge-sharing OZnNiTe2 tetrahedra. In the fourth O site, O(2) is bonded to one Ni(1), one Zn(1), one Te(1), and one Te(2) atom to form distorted edge-sharing OZnNiTe2 tetrahedra. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Te(1), and one Te(4) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Te(2), and one Te(3) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one Ni(1), one Te(1), and one Te(3) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Zn(1), one Te(2), and one Te(4) atom. is represented by the CIF card [CIF]
data_ZnNiTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   6.757
_cell_length_c   11.592
_cell_angle_alpha   98.054
_cell_angle_beta   90.007
_cell_angle_gamma   67.415
_symmetry_Int_Tables_number   1
_cell_volume   371.261
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.535  0.539  0.152  1.0
  Zn  Zn1  1  0.074  0.461  0.348  1.0
  Ni  Ni2  1  0.455  0.469  0.855  1.0
  Ni  Ni3  1  0.924  0.531  0.645  1.0
  Te  Te4  1  0.829  0.727  0.940  1.0
  Te  Te5  1  0.555  0.273  0.560  1.0
  Te  Te6  1  0.177  0.267  0.051  1.0
  Te  Te7  1  0.445  0.733  0.449  1.0
  Te  Te8  1  0.327  1.000  0.750  1.0
  Te  Te9  1  0.663  0.000  0.250  1.0
  O  O10  1  0.235  0.525  0.023  1.0
  O  O11  1  0.760  0.475  0.477  1.0
  O  O12  1  0.789  0.463  0.964  1.0
  O  O13  1  0.252  0.537  0.536  1.0
  O  O14  1  0.515  0.839  0.145  1.0
  O  O15  1  0.354  0.161  0.355  1.0
  O  O16  1  0.476  0.164  0.853  1.0
  O  O17  1  0.640  0.837  0.647  1.0
  O  O18  1  0.475  0.773  0.866  1.0
  O  O19  1  0.248  0.227  0.634  1.0
  O  O20  1  0.518  0.227  0.135  1.0
  O  O21  1  0.745  0.773  0.365  1.0
  O  O22  1  0.058  0.603  0.802  1.0
  O  O23  1  0.661  0.397  0.698  1.0
  O  O24  1  0.945  0.400  0.188  1.0
  O  O25  1  0.345  0.600  0.312  1.0
[/CIF]
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The crystal structure described by NiZnTe3O8 crystallizes in the monoclinic C2 space group. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(8) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and one O(8) atom. In the third Te site, Te(3) is bonded in a see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. In the fourth Te site, Te(4) is bonded in a see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Te(1) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Te(2) atom. In the third O site, O(1) is bonded to one Ni(1), one Zn(1), one Te(1), and one Te(2) atom to form distorted edge-sharing OZnNiTe2 tetrahedra. In the fourth O site, O(2) is bonded to one Ni(1), one Zn(1), one Te(1), and one Te(2) atom to form distorted edge-sharing OZnNiTe2 tetrahedra. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Te(1), and one Te(4) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Te(2), and one Te(3) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one Ni(1), one Te(1), and one Te(3) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Zn(1), one Te(2), and one Te(4) atom. is represented by the CIF card [CIF]
data_ZnNiTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   6.757
_cell_length_c   11.592
_cell_angle_alpha   98.054
_cell_angle_beta   90.007
_cell_angle_gamma   67.415
_symmetry_Int_Tables_number   1
_cell_volume   371.261
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.535  0.539  0.152  1.0
  Zn  Zn1  1  0.074  0.461  0.348  1.0
  Ni  Ni2  1  0.455  0.469  0.855  1.0
  Ni  Ni3  1  0.924  0.531  0.645  1.0
  Te  Te4  1  0.829  0.727  0.940  1.0
  Te  Te5  1  0.555  0.273  0.560  1.0
  Te  Te6  1  0.177  0.267  0.051  1.0
  Te  Te7  1  0.445  0.733  0.449  1.0
  Te  Te8  1  0.327  1.000  0.750  1.0
  Te  Te9  1  0.663  0.000  0.250  1.0
  O  O10  1  0.235  0.525  0.023  1.0
  O  O11  1  0.760  0.475  0.477  1.0
  O  O12  1  0.789  0.463  0.964  1.0
  O  O13  1  0.252  0.537  0.536  1.0
  O  O14  1  0.515  0.839  0.145  1.0
  O  O15  1  0.354  0.161  0.355  1.0
  O  O16  1  0.476  0.164  0.853  1.0
  O  O17  1  0.640  0.837  0.647  1.0
  O  O18  1  0.475  0.773  0.866  1.0
  O  O19  1  0.248  0.227  0.634  1.0
  O  O20  1  0.518  0.227  0.135  1.0
  O  O21  1  0.745  0.773  0.365  1.0
  O  O22  1  0.058  0.603  0.802  1.0
  O  O23  1  0.661  0.397  0.698  1.0
  O  O24  1  0.945  0.400  0.188  1.0
  O  O25  1  0.345  0.600  0.312  1.0
[/CIF]
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