The material described by MgTi2O4 is Ilmenite-like structured and crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 45-46°. O(1) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   5.128
_cell_length_c   5.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.952
_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  0.250  0.500  0.000  1.0
  Ti  Ti1  1  0.523  0.500  0.500  1.0
  Ti  Ti2  1  0.977  0.000  0.000  1.0
  O  O3  1  0.501  0.211  0.806  1.0
  O  O4  1  0.501  0.789  0.194  1.0
  O  O5  1  0.999  0.306  0.289  1.0
  O  O6  1  0.999  0.694  0.711  1.0
[/CIF]
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The material described by MgTi2O4 is Ilmenite-like structured and crystallizes in the tetragonal P-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 trigonal pyramids that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 45-46°. O(1) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.965
_cell_length_b   5.128
_cell_length_c   5.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.952
_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  0.250  0.500  0.000  1.0
  Ti  Ti1  1  0.523  0.500  0.500  1.0
  Ti  Ti2  1  0.977  0.000  0.000  1.0
  O  O3  1  0.501  0.211  0.806  1.0
  O  O4  1  0.501  0.789  0.194  1.0
  O  O5  1  0.999  0.306  0.289  1.0
  O  O6  1  0.999  0.694  0.711  1.0
[/CIF]
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