The compound described by TlNiO3 crystallizes in the monoclinic Pm space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NiO6 pentagonal pyramids. Tl(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.783
_cell_length_b   3.913
_cell_length_c   3.935
_cell_angle_alpha   81.977
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.673
_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
  Tl  Tl0  1  0.000  0.976  0.011  1.0
  Ni  Ni1  1  0.500  0.500  0.502  1.0
  O  O2  1  0.000  0.438  0.576  1.0
  O  O3  1  0.500  0.019  0.395  1.0
  O  O4  1  0.500  0.607  0.986  1.0
[/CIF]
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The compound described by TlNiO3 crystallizes in the monoclinic Pm space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NiO6 pentagonal pyramids. Tl(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ni(1) and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.783
_cell_length_b   3.913
_cell_length_c   3.935
_cell_angle_alpha   81.977
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   57.673
_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
  Tl  Tl0  1  0.000  0.976  0.011  1.0
  Ni  Ni1  1  0.500  0.500  0.502  1.0
  O  O2  1  0.000  0.438  0.576  1.0
  O  O3  1  0.500  0.019  0.395  1.0
  O  O4  1  0.500  0.607  0.986  1.0
[/CIF]
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