The material structure described by NiTeO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_NiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   5.511
_cell_length_c   5.558
_cell_angle_alpha   66.698
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   130.815
_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
  Ni  Ni0  1  0.500  0.750  0.750  1.0
  Ni  Ni1  1  0.000  0.750  0.250  1.0
  O  O2  1  0.183  0.579  0.610  1.0
  O  O3  1  0.317  0.579  0.110  1.0
  O  O4  1  0.683  0.921  0.390  1.0
  O  O5  1  0.817  0.921  0.890  1.0
  O  O6  1  0.714  0.399  0.918  1.0
  O  O7  1  0.786  0.399  0.418  1.0
  O  O8  1  0.214  0.101  0.082  1.0
  O  O9  1  0.286  0.101  0.582  1.0
  Te  Te10  1  1.000  0.250  0.750  1.0
  Te  Te11  1  0.500  0.250  0.250  1.0
[/CIF]
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The material structure described by NiTeO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Te(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TeO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_NiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.650
_cell_length_b   5.511
_cell_length_c   5.558
_cell_angle_alpha   66.698
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   130.815
_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
  Ni  Ni0  1  0.500  0.750  0.750  1.0
  Ni  Ni1  1  0.000  0.750  0.250  1.0
  O  O2  1  0.183  0.579  0.610  1.0
  O  O3  1  0.317  0.579  0.110  1.0
  O  O4  1  0.683  0.921  0.390  1.0
  O  O5  1  0.817  0.921  0.890  1.0
  O  O6  1  0.714  0.399  0.918  1.0
  O  O7  1  0.786  0.399  0.418  1.0
  O  O8  1  0.214  0.101  0.082  1.0
  O  O9  1  0.286  0.101  0.582  1.0
  Te  Te10  1  1.000  0.250  0.750  1.0
  Te  Te11  1  0.500  0.250  0.250  1.0
[/CIF]
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