The compound described by MnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Mn(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 44-61°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with nine equivalent Ti(1)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 44-61°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_TiMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   5.575
_cell_angle_alpha   54.842
_cell_angle_beta   54.842
_cell_angle_gamma   54.842
_symmetry_Int_Tables_number   1
_cell_volume   107.833
_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
  Ti  Ti0  1  0.853  0.853  0.853  1.0
  Ti  Ti1  1  0.147  0.147  0.147  1.0
  Mn  Mn2  1  0.641  0.641  0.641  1.0
  Mn  Mn3  1  0.359  0.359  0.359  1.0
  O  O4  1  0.046  0.781  0.438  1.0
  O  O5  1  0.781  0.438  0.046  1.0
  O  O6  1  0.438  0.046  0.781  1.0
  O  O7  1  0.954  0.219  0.562  1.0
  O  O8  1  0.562  0.954  0.219  1.0
  O  O9  1  0.219  0.562  0.954  1.0
[/CIF]
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The compound described by MnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Mn(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 44-61°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with nine equivalent Ti(1)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 44-61°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_TiMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   5.575
_cell_angle_alpha   54.842
_cell_angle_beta   54.842
_cell_angle_gamma   54.842
_symmetry_Int_Tables_number   1
_cell_volume   107.833
_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
  Ti  Ti0  1  0.853  0.853  0.853  1.0
  Ti  Ti1  1  0.147  0.147  0.147  1.0
  Mn  Mn2  1  0.641  0.641  0.641  1.0
  Mn  Mn3  1  0.359  0.359  0.359  1.0
  O  O4  1  0.046  0.781  0.438  1.0
  O  O5  1  0.781  0.438  0.046  1.0
  O  O6  1  0.438  0.046  0.781  1.0
  O  O7  1  0.954  0.219  0.562  1.0
  O  O8  1  0.562  0.954  0.219  1.0
  O  O9  1  0.219  0.562  0.954  1.0
[/CIF]
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