The material structure described by MgTi2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Ti(1) atoms to form OMg2Ti3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Ti2 tetrahedra, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Ti2 tetrahedra, and edges with five equivalent O(1)Mg2Ti3 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(3)Mg2Ti2 tetrahedra, corners with ten equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.038
_cell_length_c   10.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.425
_symmetry_Int_Tables_number   1
_cell_volume   140.552
_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  0.881  0.119  0.750  1.0
  Mg  Mg1  1  0.119  0.881  0.250  1.0
  Ti  Ti2  1  0.627  0.373  0.570  1.0
  Ti  Ti3  1  0.373  0.627  0.070  1.0
  Ti  Ti4  1  0.373  0.627  0.430  1.0
  Ti  Ti5  1  0.627  0.373  0.930  1.0
  O  O6  1  0.275  0.725  0.883  1.0
  O  O7  1  0.725  0.275  0.117  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.275  0.725  0.617  1.0
  O  O10  1  0.465  0.535  0.250  1.0
  O  O11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.535  0.465  0.750  1.0
  O  O13  1  0.725  0.275  0.383  1.0
[/CIF]
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The material structure described by MgTi2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Ti(1) atoms to form OMg2Ti3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Ti2 tetrahedra, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Ti2 tetrahedra, and edges with five equivalent O(1)Mg2Ti3 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(3)Mg2Ti2 tetrahedra, corners with ten equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.038
_cell_length_c   10.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.425
_symmetry_Int_Tables_number   1
_cell_volume   140.552
_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  0.881  0.119  0.750  1.0
  Mg  Mg1  1  0.119  0.881  0.250  1.0
  Ti  Ti2  1  0.627  0.373  0.570  1.0
  Ti  Ti3  1  0.373  0.627  0.070  1.0
  Ti  Ti4  1  0.373  0.627  0.430  1.0
  Ti  Ti5  1  0.627  0.373  0.930  1.0
  O  O6  1  0.275  0.725  0.883  1.0
  O  O7  1  0.725  0.275  0.117  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.275  0.725  0.617  1.0
  O  O10  1  0.465  0.535  0.250  1.0
  O  O11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.535  0.465  0.750  1.0
  O  O13  1  0.725  0.275  0.383  1.0
[/CIF]
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