The compound described by NiTeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 trigonal pyramids that share corners with eight equivalent Te(1)O6 octahedra and corners with two equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-83°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and corners with eight equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to two equivalent Ni(1) and two equivalent Te(1) atoms to form distorted corner-sharing ONi2Te2 trigonal pyramids. is represented by the CIF card [CIF]
data_NiTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.619
_cell_length_c   8.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.406
_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
  Ni  Ni0  1  0.994  0.470  0.250  1.0
  Ni  Ni1  1  0.006  0.530  0.750  1.0
  Ni  Ni2  1  0.494  0.030  0.750  1.0
  Ni  Ni3  1  0.506  0.970  0.250  1.0
  Te  Te4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.337  0.169  0.079  1.0
  O  O9  1  0.663  0.831  0.921  1.0
  O  O10  1  0.837  0.331  0.921  1.0
  O  O11  1  0.663  0.831  0.579  1.0
  O  O12  1  0.163  0.669  0.079  1.0
  O  O13  1  0.337  0.169  0.421  1.0
  O  O14  1  0.163  0.669  0.421  1.0
  O  O15  1  0.837  0.331  0.579  1.0
  O  O16  1  0.649  0.610  0.250  1.0
  O  O17  1  0.351  0.390  0.750  1.0
  O  O18  1  0.149  0.890  0.750  1.0
  O  O19  1  0.851  0.110  0.250  1.0
[/CIF]
.
The compound described by NiTeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 trigonal pyramids that share corners with eight equivalent Te(1)O6 octahedra and corners with two equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-83°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and corners with eight equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to two equivalent Ni(1) and two equivalent Te(1) atoms to form distorted corner-sharing ONi2Te2 trigonal pyramids. is represented by the CIF card [CIF]
data_NiTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.619
_cell_length_c   8.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.406
_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
  Ni  Ni0  1  0.994  0.470  0.250  1.0
  Ni  Ni1  1  0.006  0.530  0.750  1.0
  Ni  Ni2  1  0.494  0.030  0.750  1.0
  Ni  Ni3  1  0.506  0.970  0.250  1.0
  Te  Te4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.337  0.169  0.079  1.0
  O  O9  1  0.663  0.831  0.921  1.0
  O  O10  1  0.837  0.331  0.921  1.0
  O  O11  1  0.663  0.831  0.579  1.0
  O  O12  1  0.163  0.669  0.079  1.0
  O  O13  1  0.337  0.169  0.421  1.0
  O  O14  1  0.163  0.669  0.421  1.0
  O  O15  1  0.837  0.331  0.579  1.0
  O  O16  1  0.649  0.610  0.250  1.0
  O  O17  1  0.351  0.390  0.750  1.0
  O  O18  1  0.149  0.890  0.750  1.0
  O  O19  1  0.851  0.110  0.250  1.0
[/CIF]
.