The material structure described by Ti2MnFeO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Fe(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 42-62°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 Fe(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 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 42-62°. There are six 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 Fe(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnFe trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2MnFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.619
_cell_length_c   5.155
_cell_angle_alpha   116.484
_cell_angle_beta   120.121
_cell_angle_gamma   62.748
_symmetry_Int_Tables_number   1
_cell_volume   110.841
_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
  Ti  Ti0  1  0.145  0.564  0.856  1.0
  Ti  Ti1  1  0.855  0.438  0.147  1.0
  Mn  Mn2  1  0.643  0.074  0.360  1.0
  Fe  Fe3  1  0.355  0.934  0.647  1.0
  O  O4  1  0.215  0.259  0.438  1.0
  O  O5  1  0.565  0.267  0.044  1.0
  O  O6  1  0.955  0.268  0.788  1.0
  O  O7  1  0.782  0.731  0.559  1.0
  O  O8  1  0.435  0.734  0.944  1.0
  O  O9  1  0.050  0.730  0.216  1.0
[/CIF]
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The material structure described by Ti2MnFeO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Fe(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 42-62°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 Fe(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 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 42-62°. There are six 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 Fe(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnFe trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2MnFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.619
_cell_length_c   5.155
_cell_angle_alpha   116.484
_cell_angle_beta   120.121
_cell_angle_gamma   62.748
_symmetry_Int_Tables_number   1
_cell_volume   110.841
_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
  Ti  Ti0  1  0.145  0.564  0.856  1.0
  Ti  Ti1  1  0.855  0.438  0.147  1.0
  Mn  Mn2  1  0.643  0.074  0.360  1.0
  Fe  Fe3  1  0.355  0.934  0.647  1.0
  O  O4  1  0.215  0.259  0.438  1.0
  O  O5  1  0.565  0.267  0.044  1.0
  O  O6  1  0.955  0.268  0.788  1.0
  O  O7  1  0.782  0.731  0.559  1.0
  O  O8  1  0.435  0.734  0.944  1.0
  O  O9  1  0.050  0.730  0.216  1.0
[/CIF]
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