The structure described by MgTi4O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-39°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form OMg2Ti3 trigonal bipyramids that share corners with four equivalent O(4)Mg2Ti2 tetrahedra, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(4)Mg2Ti2 tetrahedra, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(2) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(4)Mg2Ti2 tetrahedra, corners with eight equivalent O(2)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_MgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   5.018
_cell_length_c   10.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.922
_symmetry_Int_Tables_number   1
_cell_volume   140.725
_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  0.384  0.767  0.750  1.0
  Ti  Ti1  1  0.874  0.747  0.079  1.0
  Ti  Ti2  1  0.131  0.263  0.931  1.0
  Ti  Ti3  1  0.874  0.747  0.421  1.0
  Ti  Ti4  1  0.131  0.263  0.569  1.0
  O  O5  1  0.234  0.469  0.404  1.0
  O  O6  1  0.772  0.544  0.621  1.0
  O  O7  1  0.772  0.544  0.879  1.0
  O  O8  1  0.234  0.469  0.096  1.0
  O  O9  1  0.937  0.874  0.250  1.0
  O  O10  1  0.041  0.081  0.750  1.0
  O  O11  1  0.496  0.991  0.994  1.0
  O  O12  1  0.496  0.991  0.506  1.0
[/CIF]
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The structure described by MgTi4O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-39°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form OMg2Ti3 trigonal bipyramids that share corners with four equivalent O(4)Mg2Ti2 tetrahedra, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(4)Mg2Ti2 tetrahedra, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(2) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(4)Mg2Ti2 tetrahedra, corners with eight equivalent O(2)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_MgTi4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   5.018
_cell_length_c   10.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.922
_symmetry_Int_Tables_number   1
_cell_volume   140.725
_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  0.384  0.767  0.750  1.0
  Ti  Ti1  1  0.874  0.747  0.079  1.0
  Ti  Ti2  1  0.131  0.263  0.931  1.0
  Ti  Ti3  1  0.874  0.747  0.421  1.0
  Ti  Ti4  1  0.131  0.263  0.569  1.0
  O  O5  1  0.234  0.469  0.404  1.0
  O  O6  1  0.772  0.544  0.621  1.0
  O  O7  1  0.772  0.544  0.879  1.0
  O  O8  1  0.234  0.469  0.096  1.0
  O  O9  1  0.937  0.874  0.250  1.0
  O  O10  1  0.041  0.081  0.750  1.0
  O  O11  1  0.496  0.991  0.994  1.0
  O  O12  1  0.496  0.991  0.506  1.0
[/CIF]
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