The material described by MgTi2O4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   4.217
_cell_length_c   5.431
_cell_angle_alpha   112.845
_cell_angle_beta   111.037
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.787
_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  0.797  0.297  0.594  1.0
  Ti  Ti1  1  0.219  0.719  0.439  1.0
  Ti  Ti2  1  0.020  0.020  0.040  1.0
  O  O3  1  0.502  0.002  0.004  1.0
  O  O4  1  0.780  0.780  0.560  1.0
  O  O5  1  0.012  0.512  0.024  1.0
  O  O6  1  0.241  0.241  0.482  1.0
[/CIF]
.
The material described by MgTi2O4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   4.217
_cell_length_c   5.431
_cell_angle_alpha   112.845
_cell_angle_beta   111.037
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.787
_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  0.797  0.297  0.594  1.0
  Ti  Ti1  1  0.219  0.719  0.439  1.0
  Ti  Ti2  1  0.020  0.020  0.040  1.0
  O  O3  1  0.502  0.002  0.004  1.0
  O  O4  1  0.780  0.780  0.560  1.0
  O  O5  1  0.012  0.512  0.024  1.0
  O  O6  1  0.241  0.241  0.482  1.0
[/CIF]
.