The structure described by Ti2MnNiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing OTi2MnNi trigonal pyramids. is represented by the CIF file [CIF]
data_Ti2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.133
_cell_length_c   5.583
_cell_angle_alpha   62.629
_cell_angle_beta   62.629
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   107.967
_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
  Mn  Mn0  1  0.357  0.357  0.929  1.0
  Ni  Ni1  1  0.649  0.649  0.054  1.0
  O  O2  1  0.787  0.037  0.740  1.0
  O  O3  1  0.437  0.787  0.740  1.0
  O  O4  1  0.037  0.437  0.740  1.0
  O  O5  1  0.230  0.940  0.267  1.0
  O  O6  1  0.563  0.230  0.267  1.0
  O  O7  1  0.940  0.563  0.267  1.0
  Ti  Ti8  1  0.856  0.856  0.432  1.0
  Ti  Ti9  1  0.146  0.146  0.563  1.0
[/CIF]
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The structure described by Ti2MnNiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing OTi2MnNi trigonal pyramids. is represented by the CIF file [CIF]
data_Ti2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.133
_cell_length_c   5.583
_cell_angle_alpha   62.629
_cell_angle_beta   62.629
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   107.967
_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
  Mn  Mn0  1  0.357  0.357  0.929  1.0
  Ni  Ni1  1  0.649  0.649  0.054  1.0
  O  O2  1  0.787  0.037  0.740  1.0
  O  O3  1  0.437  0.787  0.740  1.0
  O  O4  1  0.037  0.437  0.740  1.0
  O  O5  1  0.230  0.940  0.267  1.0
  O  O6  1  0.563  0.230  0.267  1.0
  O  O7  1  0.940  0.563  0.267  1.0
  Ti  Ti8  1  0.856  0.856  0.432  1.0
  Ti  Ti9  1  0.146  0.146  0.563  1.0
[/CIF]
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