The structure described by MgTiO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 square pyramids that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 square pyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids,  an edgeedge with one Mg(1)O5 square pyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with four equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form distorted OMgTi3 tetrahedra that share  a cornercorner with one O(4)Mg3Ti3 pentagonal pyramid, corners with four equivalent O(3)Mg3Ti2 square pyramids, corners with two equivalent O(1)MgTi3 tetrahedra, corners with four equivalent O(2)Mg2Ti3 trigonal bipyramids, edges with two equivalent O(4)Mg3Ti3 pentagonal pyramids, and  an edgeedge with one O(3)Mg3Ti2 square pyramid. In the second O site, O(2) is bonded to two equivalent Mg(2), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMg2Ti3 trigonal bipyramids that share corners with two equivalent O(4)Mg3Ti3 pentagonal pyramids, corners with four equivalent O(1)MgTi3 tetrahedra, edges with three equivalent O(4)Mg3Ti3 pentagonal pyramids, edges with two equivalent O(3)Mg3Ti2 square pyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and two equivalent Ti(1) atoms to form OMg3Ti2 square pyramids that share corners with three equivalent O(4)Mg3Ti3 pentagonal pyramids, corners with four equivalent O(1)MgTi3 tetrahedra,  an edgeedge with one O(4)Mg3Ti3 pentagonal pyramid, edges with two equivalent O(3)Mg3Ti2 square pyramids,  an edgeedge with one O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(2), two equivalent Mg(1), and three equivalent Ti(2) atoms to form distorted OMg3Ti3 pentagonal pyramids that share corners with three equivalent O(3)Mg3Ti2 square pyramids,  a cornercorner with one O(1)MgTi3 tetrahedra, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, edges with four equivalent O(4)Mg3Ti3 pentagonal pyramids,  an edgeedge with one O(3)Mg3Ti2 square pyramid, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.050
_cell_length_b   8.050
_cell_length_c   10.181
_cell_angle_alpha   51.179
_cell_angle_beta   51.179
_cell_angle_gamma   20.632
_symmetry_Int_Tables_number   1
_cell_volume   179.175
_cell_formula_units_Z   4
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  0.679  0.679  0.280  1.0
  Mg  Mg1  1  0.321  0.321  0.720  1.0
  Mg  Mg2  1  0.976  0.976  0.387  1.0
  Mg  Mg3  1  0.024  0.024  0.613  1.0
  Ti  Ti4  1  0.389  0.389  0.945  1.0
  Ti  Ti5  1  0.817  0.817  0.358  1.0
  Ti  Ti6  1  0.183  0.183  0.642  1.0
  Ti  Ti7  1  0.611  0.611  0.055  1.0
  O  O8  1  0.155  0.155  0.886  1.0
  O  O9  1  0.547  0.547  0.741  1.0
  O  O10  1  0.453  0.453  0.259  1.0
  O  O11  1  0.845  0.845  0.114  1.0
  O  O12  1  0.852  0.852  0.835  1.0
  O  O13  1  0.193  0.193  0.417  1.0
  O  O14  1  0.148  0.148  0.165  1.0
  O  O15  1  0.807  0.807  0.583  1.0
[/CIF]
.
The structure described by MgTiO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 square pyramids that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 square pyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids,  an edgeedge with one Mg(1)O5 square pyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with four equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form distorted OMgTi3 tetrahedra that share  a cornercorner with one O(4)Mg3Ti3 pentagonal pyramid, corners with four equivalent O(3)Mg3Ti2 square pyramids, corners with two equivalent O(1)MgTi3 tetrahedra, corners with four equivalent O(2)Mg2Ti3 trigonal bipyramids, edges with two equivalent O(4)Mg3Ti3 pentagonal pyramids, and  an edgeedge with one O(3)Mg3Ti2 square pyramid. In the second O site, O(2) is bonded to two equivalent Mg(2), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMg2Ti3 trigonal bipyramids that share corners with two equivalent O(4)Mg3Ti3 pentagonal pyramids, corners with four equivalent O(1)MgTi3 tetrahedra, edges with three equivalent O(4)Mg3Ti3 pentagonal pyramids, edges with two equivalent O(3)Mg3Ti2 square pyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and two equivalent Ti(1) atoms to form OMg3Ti2 square pyramids that share corners with three equivalent O(4)Mg3Ti3 pentagonal pyramids, corners with four equivalent O(1)MgTi3 tetrahedra,  an edgeedge with one O(4)Mg3Ti3 pentagonal pyramid, edges with two equivalent O(3)Mg3Ti2 square pyramids,  an edgeedge with one O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(2), two equivalent Mg(1), and three equivalent Ti(2) atoms to form distorted OMg3Ti3 pentagonal pyramids that share corners with three equivalent O(3)Mg3Ti2 square pyramids,  a cornercorner with one O(1)MgTi3 tetrahedra, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, edges with four equivalent O(4)Mg3Ti3 pentagonal pyramids,  an edgeedge with one O(3)Mg3Ti2 square pyramid, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.050
_cell_length_b   8.050
_cell_length_c   10.181
_cell_angle_alpha   51.179
_cell_angle_beta   51.179
_cell_angle_gamma   20.632
_symmetry_Int_Tables_number   1
_cell_volume   179.175
_cell_formula_units_Z   4
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  0.679  0.679  0.280  1.0
  Mg  Mg1  1  0.321  0.321  0.720  1.0
  Mg  Mg2  1  0.976  0.976  0.387  1.0
  Mg  Mg3  1  0.024  0.024  0.613  1.0
  Ti  Ti4  1  0.389  0.389  0.945  1.0
  Ti  Ti5  1  0.817  0.817  0.358  1.0
  Ti  Ti6  1  0.183  0.183  0.642  1.0
  Ti  Ti7  1  0.611  0.611  0.055  1.0
  O  O8  1  0.155  0.155  0.886  1.0
  O  O9  1  0.547  0.547  0.741  1.0
  O  O10  1  0.453  0.453  0.259  1.0
  O  O11  1  0.845  0.845  0.114  1.0
  O  O12  1  0.852  0.852  0.835  1.0
  O  O13  1  0.193  0.193  0.417  1.0
  O  O14  1  0.148  0.148  0.165  1.0
  O  O15  1  0.807  0.807  0.583  1.0
[/CIF]
.