The material described by MgTi2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form TiO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.058
_cell_angle_alpha   121.822
_cell_angle_beta   119.410
_cell_angle_gamma   88.949
_symmetry_Int_Tables_number   1
_cell_volume   155.625
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.129  0.879  0.250  1.0
  Ti  Ti3  1  0.871  0.121  0.750  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.740  0.248  0.009  1.0
  O  O7  1  0.750  0.253  0.498  1.0
  O  O8  1  0.740  0.731  0.491  1.0
  O  O9  1  0.255  0.253  0.002  1.0
  O  O10  1  0.745  0.747  0.998  1.0
  O  O11  1  0.250  0.747  0.502  1.0
  O  O12  1  0.260  0.269  0.509  1.0
  O  O13  1  0.260  0.752  0.991  1.0
[/CIF]
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The material described by MgTi2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form TiO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.058
_cell_angle_alpha   121.822
_cell_angle_beta   119.410
_cell_angle_gamma   88.949
_symmetry_Int_Tables_number   1
_cell_volume   155.625
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.129  0.879  0.250  1.0
  Ti  Ti3  1  0.871  0.121  0.750  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.740  0.248  0.009  1.0
  O  O7  1  0.750  0.253  0.498  1.0
  O  O8  1  0.740  0.731  0.491  1.0
  O  O9  1  0.255  0.253  0.002  1.0
  O  O10  1  0.745  0.747  0.998  1.0
  O  O11  1  0.250  0.747  0.502  1.0
  O  O12  1  0.260  0.269  0.509  1.0
  O  O13  1  0.260  0.752  0.991  1.0
[/CIF]
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