The structure described by MgTiO2 is Ilmenite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing TiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Ti(1) atoms to form distorted edge-sharing OMg3Ti3 pentagonal pyramids. is represented by the CIF card [CIF]
data_MgTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.320
_cell_length_c   6.335
_cell_angle_alpha   27.092
_cell_angle_beta   27.051
_cell_angle_gamma   27.092
_symmetry_Int_Tables_number   1
_cell_volume   46.359
_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  0.151  0.154  0.151  1.0
  Ti  Ti1  1  0.992  0.995  0.992  1.0
  O  O2  1  0.266  0.265  0.266  1.0
  O  O3  1  0.729  0.735  0.729  1.0
[/CIF]
.
The structure described by MgTiO2 is Ilmenite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing TiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Ti(1) atoms to form distorted edge-sharing OMg3Ti3 pentagonal pyramids. is represented by the CIF card [CIF]
data_MgTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.320
_cell_length_c   6.335
_cell_angle_alpha   27.092
_cell_angle_beta   27.051
_cell_angle_gamma   27.092
_symmetry_Int_Tables_number   1
_cell_volume   46.359
_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  0.151  0.154  0.151  1.0
  Ti  Ti1  1  0.992  0.995  0.992  1.0
  O  O2  1  0.266  0.265  0.266  1.0
  O  O3  1  0.729  0.735  0.729  1.0
[/CIF]
.