The material described by Ni(TeO3)4 crystallizes in the triclinic P1 space group. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. 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 corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. 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 TeO6 octahedra that share corners with two equivalent Te(4)O6 octahedra, corners with four equivalent Te(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. 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 distorted TeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-57°. 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 Ni(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1), one Te(2), and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.577
_cell_length_c   7.637
_cell_angle_alpha   84.930
_cell_angle_beta   89.705
_cell_angle_gamma   89.501
_symmetry_Int_Tables_number   1
_cell_volume   217.925
_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
  Ni  Ni0  1  0.993  0.594  0.288  1.0
  O  O1  1  0.687  0.753  0.416  1.0
  O  O2  1  0.868  0.992  0.750  1.0
  O  O3  1  0.695  0.176  0.055  1.0
  O  O4  1  0.815  0.303  0.418  1.0
  O  O5  1  0.194  0.283  0.916  1.0
  O  O6  1  0.631  0.486  0.743  1.0
  O  O7  1  0.357  0.455  0.231  1.0
  O  O8  1  0.803  0.661  0.050  1.0
  O  O9  1  0.176  0.623  0.528  1.0
  O  O10  1  0.300  0.772  0.911  1.0
  O  O11  1  0.112  0.938  0.220  1.0
  O  O12  1  0.354  0.155  0.554  1.0
  Te  Te13  1  0.003  0.985  0.983  1.0
  Te  Te14  1  0.504  0.471  0.502  1.0
  Te  Te15  1  0.015  0.998  0.508  1.0
  Te  Te16  1  0.493  0.472  0.986  1.0
[/CIF]
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The material described by Ni(TeO3)4 crystallizes in the triclinic P1 space group. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. 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 corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. 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 TeO6 octahedra that share corners with two equivalent Te(4)O6 octahedra, corners with four equivalent Te(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. 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 distorted TeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-57°. 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 Ni(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1), one Te(2), and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ni(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.577
_cell_length_c   7.637
_cell_angle_alpha   84.930
_cell_angle_beta   89.705
_cell_angle_gamma   89.501
_symmetry_Int_Tables_number   1
_cell_volume   217.925
_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
  Ni  Ni0  1  0.993  0.594  0.288  1.0
  O  O1  1  0.687  0.753  0.416  1.0
  O  O2  1  0.868  0.992  0.750  1.0
  O  O3  1  0.695  0.176  0.055  1.0
  O  O4  1  0.815  0.303  0.418  1.0
  O  O5  1  0.194  0.283  0.916  1.0
  O  O6  1  0.631  0.486  0.743  1.0
  O  O7  1  0.357  0.455  0.231  1.0
  O  O8  1  0.803  0.661  0.050  1.0
  O  O9  1  0.176  0.623  0.528  1.0
  O  O10  1  0.300  0.772  0.911  1.0
  O  O11  1  0.112  0.938  0.220  1.0
  O  O12  1  0.354  0.155  0.554  1.0
  Te  Te13  1  0.003  0.985  0.983  1.0
  Te  Te14  1  0.504  0.471  0.502  1.0
  Te  Te15  1  0.015  0.998  0.508  1.0
  Te  Te16  1  0.493  0.472  0.986  1.0
[/CIF]
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