The material structure described by MgTi2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Mg site, Mg(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent Ti(2)O4 tetrahedra, corners with three equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(2)O4 tetrahedra,  a cornercorner with one Ti(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form MgO6 octahedra that share corners with three equivalent Ti(5)O4 tetrahedra, corners with three equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the fifth Mg site, Mg(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(5)O4 tetrahedra,  a cornercorner with one Ti(7)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(8)O4 tetrahedra, corners with two equivalent Ti(5)O4 tetrahedra, corners with two equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with four equivalent Ti(6)O6 octahedra. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O4 tetrahedra,  a cornercorner with one Ti(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third Ti site, Ti(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O4 tetrahedra,  a cornercorner with one Ti(7)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form TiO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(8)O4 tetrahedra, corners with two equivalent Ti(5)O4 tetrahedra, corners with two equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the ninth Ti site, Ti(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(3), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(3), one Ti(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Mg(2), one Mg(5), one Ti(2), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OMg2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Ti(7), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one Ti(5), and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one Ti(1), and one Ti(7) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Mg(3), one Ti(9), and two equivalent Ti(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Ti(2), and two equivalent Ti(4) atoms. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Ti(8), and two equivalent Ti(4) atoms. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(5), one Ti(4), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Mg(1), one Mg(6), and two equivalent Ti(6) atoms. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Mg(5), one Ti(7), and two equivalent Ti(4) atoms. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4), one Ti(5), and two equivalent Ti(6) atoms. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(9), and two equivalent Ti(6) atoms. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(6), one Ti(3), one Ti(6), and one Ti(9) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Mg(6), one Ti(8), and two equivalent Ti(6) atoms. is represented by the CIF file [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   5.925
_cell_length_c   18.002
_cell_angle_alpha   60.422
_cell_angle_beta   60.681
_cell_angle_gamma   60.879
_symmetry_Int_Tables_number   1
_cell_volume   465.784
_cell_formula_units_Z   6
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  0.131  0.129  0.037  1.0
  Mg  Mg1  1  0.500  0.503  0.331  1.0
  Mg  Mg2  1  0.996  0.505  0.165  1.0
  Mg  Mg3  1  0.506  0.491  0.671  1.0
  Mg  Mg4  1  0.003  0.498  0.500  1.0
  Mg  Mg5  1  0.017  0.492  0.833  1.0
  Ti  Ti6  1  0.494  0.031  0.162  1.0
  Ti  Ti7  1  0.123  0.119  0.379  1.0
  Ti  Ti8  1  0.496  0.512  0.994  1.0
  Ti  Ti9  1  0.494  0.490  0.162  1.0
  Ti  Ti10  1  0.501  0.986  0.500  1.0
  Ti  Ti11  1  0.123  0.121  0.712  1.0
  Ti  Ti12  1  0.501  0.514  0.500  1.0
  Ti  Ti13  1  0.500  0.968  0.840  1.0
  Ti  Ti14  1  0.881  0.881  0.286  1.0
  Ti  Ti15  1  0.500  0.511  0.840  1.0
  Ti  Ti16  1  0.871  0.879  0.624  1.0
  Ti  Ti17  1  0.852  0.877  0.965  1.0
  O  O18  1  0.264  0.257  0.085  1.0
  O  O19  1  0.248  0.251  0.250  1.0
  O  O20  1  0.263  0.724  0.085  1.0
  O  O21  1  0.739  0.260  0.080  1.0
  O  O22  1  0.258  0.251  0.420  1.0
  O  O23  1  0.261  0.750  0.246  1.0
  O  O24  1  0.250  0.251  0.583  1.0
  O  O25  1  0.740  0.268  0.246  1.0
  O  O26  1  0.259  0.730  0.420  1.0
  O  O27  1  0.735  0.744  0.092  1.0
  O  O28  1  0.738  0.253  0.419  1.0
  O  O29  1  0.740  0.756  0.246  1.0
  O  O30  1  0.262  0.244  0.752  1.0
  O  O31  1  0.252  0.747  0.584  1.0
  O  O32  1  0.740  0.268  0.580  1.0
  O  O33  1  0.262  0.737  0.752  1.0
  O  O34  1  0.279  0.254  0.904  1.0
  O  O35  1  0.756  0.750  0.415  1.0
  O  O36  1  0.747  0.246  0.754  1.0
  O  O37  1  0.740  0.751  0.580  1.0
  O  O38  1  0.223  0.755  0.923  1.0
  O  O39  1  0.752  0.263  0.915  1.0
  O  O40  1  0.753  0.743  0.754  1.0
  O  O41  1  0.752  0.742  0.915  1.0
[/CIF]
.
The material structure described by MgTi2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Mg site, Mg(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent Ti(2)O4 tetrahedra, corners with three equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(2)O4 tetrahedra,  a cornercorner with one Ti(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form MgO6 octahedra that share corners with three equivalent Ti(5)O4 tetrahedra, corners with three equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the fifth Mg site, Mg(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(5)O4 tetrahedra,  a cornercorner with one Ti(7)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(8)O4 tetrahedra, corners with two equivalent Ti(5)O4 tetrahedra, corners with two equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with four equivalent Ti(6)O6 octahedra. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O4 tetrahedra,  a cornercorner with one Ti(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third Ti site, Ti(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O4 tetrahedra,  a cornercorner with one Ti(7)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra, corners with two equivalent Ti(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form TiO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(8)O4 tetrahedra, corners with two equivalent Ti(5)O4 tetrahedra, corners with two equivalent Ti(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the ninth Ti site, Ti(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form TiO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with four equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(3), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(3), one Ti(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Mg(2), one Mg(5), one Ti(2), and one Ti(4) atom to form a mixture of distorted corner and edge-sharing OMg2Ti2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Ti(7), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one Ti(5), and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mg(3), one Ti(1), and one Ti(7) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Mg(3), one Ti(9), and two equivalent Ti(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Ti(2), and two equivalent Ti(4) atoms. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Ti(8), and two equivalent Ti(4) atoms. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(5), one Ti(4), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Mg(1), one Mg(6), and two equivalent Ti(6) atoms. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Mg(5), one Ti(7), and two equivalent Ti(4) atoms. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4), one Ti(5), and two equivalent Ti(6) atoms. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(9), and two equivalent Ti(6) atoms. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(6), one Ti(3), one Ti(6), and one Ti(9) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Mg(6), one Ti(8), and two equivalent Ti(6) atoms. is represented by the CIF file [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   5.925
_cell_length_c   18.002
_cell_angle_alpha   60.422
_cell_angle_beta   60.681
_cell_angle_gamma   60.879
_symmetry_Int_Tables_number   1
_cell_volume   465.784
_cell_formula_units_Z   6
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  0.131  0.129  0.037  1.0
  Mg  Mg1  1  0.500  0.503  0.331  1.0
  Mg  Mg2  1  0.996  0.505  0.165  1.0
  Mg  Mg3  1  0.506  0.491  0.671  1.0
  Mg  Mg4  1  0.003  0.498  0.500  1.0
  Mg  Mg5  1  0.017  0.492  0.833  1.0
  Ti  Ti6  1  0.494  0.031  0.162  1.0
  Ti  Ti7  1  0.123  0.119  0.379  1.0
  Ti  Ti8  1  0.496  0.512  0.994  1.0
  Ti  Ti9  1  0.494  0.490  0.162  1.0
  Ti  Ti10  1  0.501  0.986  0.500  1.0
  Ti  Ti11  1  0.123  0.121  0.712  1.0
  Ti  Ti12  1  0.501  0.514  0.500  1.0
  Ti  Ti13  1  0.500  0.968  0.840  1.0
  Ti  Ti14  1  0.881  0.881  0.286  1.0
  Ti  Ti15  1  0.500  0.511  0.840  1.0
  Ti  Ti16  1  0.871  0.879  0.624  1.0
  Ti  Ti17  1  0.852  0.877  0.965  1.0
  O  O18  1  0.264  0.257  0.085  1.0
  O  O19  1  0.248  0.251  0.250  1.0
  O  O20  1  0.263  0.724  0.085  1.0
  O  O21  1  0.739  0.260  0.080  1.0
  O  O22  1  0.258  0.251  0.420  1.0
  O  O23  1  0.261  0.750  0.246  1.0
  O  O24  1  0.250  0.251  0.583  1.0
  O  O25  1  0.740  0.268  0.246  1.0
  O  O26  1  0.259  0.730  0.420  1.0
  O  O27  1  0.735  0.744  0.092  1.0
  O  O28  1  0.738  0.253  0.419  1.0
  O  O29  1  0.740  0.756  0.246  1.0
  O  O30  1  0.262  0.244  0.752  1.0
  O  O31  1  0.252  0.747  0.584  1.0
  O  O32  1  0.740  0.268  0.580  1.0
  O  O33  1  0.262  0.737  0.752  1.0
  O  O34  1  0.279  0.254  0.904  1.0
  O  O35  1  0.756  0.750  0.415  1.0
  O  O36  1  0.747  0.246  0.754  1.0
  O  O37  1  0.740  0.751  0.580  1.0
  O  O38  1  0.223  0.755  0.923  1.0
  O  O39  1  0.752  0.263  0.915  1.0
  O  O40  1  0.753  0.743  0.754  1.0
  O  O41  1  0.752  0.742  0.915  1.0
[/CIF]
.