The structure described by MgTi2MnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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 Mn(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. 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 Mg(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. 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(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2MnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   5.151
_cell_length_c   5.593
_cell_angle_alpha   117.403
_cell_angle_beta   90.002
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   108.879
_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
  Mg  Mg0  1  0.355  0.289  0.934  1.0
  Mn  Mn1  1  0.642  0.718  0.077  1.0
  O  O2  1  0.774  0.790  0.733  1.0
  O  O3  1  0.436  0.508  0.734  1.0
  O  O4  1  0.056  0.170  0.734  1.0
  O  O5  1  0.212  0.225  0.261  1.0
  O  O6  1  0.563  0.473  0.261  1.0
  O  O7  1  0.964  0.824  0.261  1.0
  Ti  Ti8  1  0.854  0.292  0.437  1.0
  Ti  Ti9  1  0.145  0.711  0.567  1.0
[/CIF]
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The structure described by MgTi2MnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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 Mn(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. 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 Mg(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. 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(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMgTi2Mn trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2MnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   5.151
_cell_length_c   5.593
_cell_angle_alpha   117.403
_cell_angle_beta   90.002
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   108.879
_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
  Mg  Mg0  1  0.355  0.289  0.934  1.0
  Mn  Mn1  1  0.642  0.718  0.077  1.0
  O  O2  1  0.774  0.790  0.733  1.0
  O  O3  1  0.436  0.508  0.734  1.0
  O  O4  1  0.056  0.170  0.734  1.0
  O  O5  1  0.212  0.225  0.261  1.0
  O  O6  1  0.563  0.473  0.261  1.0
  O  O7  1  0.964  0.824  0.261  1.0
  Ti  Ti8  1  0.854  0.292  0.437  1.0
  Ti  Ti9  1  0.145  0.711  0.567  1.0
[/CIF]
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