The structure described by MgTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Ti(1)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 45-61°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Mg(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 45-61°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   5.471
_cell_angle_alpha   55.072
_cell_angle_beta   55.072
_cell_angle_gamma   55.072
_symmetry_Int_Tables_number   1
_cell_volume   102.519
_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
  Mg  Mg0  1  0.355  0.355  0.355  1.0
  Mg  Mg1  1  0.645  0.645  0.645  1.0
  Ti  Ti2  1  0.145  0.145  0.145  1.0
  Ti  Ti3  1  0.855  0.855  0.855  1.0
  O  O4  1  0.048  0.773  0.438  1.0
  O  O5  1  0.773  0.438  0.048  1.0
  O  O6  1  0.438  0.048  0.773  1.0
  O  O7  1  0.952  0.227  0.562  1.0
  O  O8  1  0.562  0.952  0.227  1.0
  O  O9  1  0.227  0.562  0.952  1.0
[/CIF]
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The structure described by MgTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Ti(1)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 45-61°. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Mg(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 45-61°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   5.471
_cell_length_c   5.471
_cell_angle_alpha   55.072
_cell_angle_beta   55.072
_cell_angle_gamma   55.072
_symmetry_Int_Tables_number   1
_cell_volume   102.519
_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
  Mg  Mg0  1  0.355  0.355  0.355  1.0
  Mg  Mg1  1  0.645  0.645  0.645  1.0
  Ti  Ti2  1  0.145  0.145  0.145  1.0
  Ti  Ti3  1  0.855  0.855  0.855  1.0
  O  O4  1  0.048  0.773  0.438  1.0
  O  O5  1  0.773  0.438  0.048  1.0
  O  O6  1  0.438  0.048  0.773  1.0
  O  O7  1  0.952  0.227  0.562  1.0
  O  O8  1  0.562  0.952  0.227  1.0
  O  O9  1  0.227  0.562  0.952  1.0
[/CIF]
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