The material described by TlNiO3 is pyrite-derived structured and crystallizes in the trigonal R3c space group. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.377
_cell_length_b   5.377
_cell_length_c   5.377
_cell_angle_alpha   59.744
_cell_angle_beta   59.744
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   109.318
_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
  Tl  Tl0  1  0.270  0.270  0.270  1.0
  Tl  Tl1  1  0.770  0.770  0.770  1.0
  Ni  Ni2  1  0.006  0.006  0.006  1.0
  Ni  Ni3  1  0.506  0.506  0.506  1.0
  O  O4  1  0.847  0.243  0.663  1.0
  O  O5  1  0.663  0.847  0.243  1.0
  O  O6  1  0.243  0.663  0.847  1.0
  O  O7  1  0.347  0.163  0.743  1.0
  O  O8  1  0.163  0.743  0.347  1.0
  O  O9  1  0.743  0.347  0.163  1.0
[/CIF]
.
The material described by TlNiO3 is pyrite-derived structured and crystallizes in the trigonal R3c space group. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.377
_cell_length_b   5.377
_cell_length_c   5.377
_cell_angle_alpha   59.744
_cell_angle_beta   59.744
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   109.318
_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
  Tl  Tl0  1  0.270  0.270  0.270  1.0
  Tl  Tl1  1  0.770  0.770  0.770  1.0
  Ni  Ni2  1  0.006  0.006  0.006  1.0
  Ni  Ni3  1  0.506  0.506  0.506  1.0
  O  O4  1  0.847  0.243  0.663  1.0
  O  O5  1  0.663  0.847  0.243  1.0
  O  O6  1  0.243  0.663  0.847  1.0
  O  O7  1  0.347  0.163  0.743  1.0
  O  O8  1  0.163  0.743  0.347  1.0
  O  O9  1  0.743  0.347  0.163  1.0
[/CIF]
.