The material structure described by MgTiMnO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-39°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMg2TiMn2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMg2TiMn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_MgTiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.682
_cell_length_b   5.682
_cell_length_c   5.682
_cell_angle_alpha   136.507
_cell_angle_beta   140.465
_cell_angle_gamma   60.218
_symmetry_Int_Tables_number   1
_cell_volume   79.555
_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  0.540  0.540  0.000  1.0
  Ti  Ti1  1  0.758  0.258  0.500  1.0
  Mn  Mn2  1  0.964  0.964  1.000  1.0
  O  O3  1  0.559  0.059  0.500  1.0
  O  O4  1  0.280  0.280  0.000  1.0
  O  O5  1  0.971  0.471  0.500  1.0
  O  O6  1  0.749  0.749  0.000  1.0
[/CIF]
.
The material structure described by MgTiMnO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-39°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMg2TiMn2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMg2TiMn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_MgTiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.682
_cell_length_b   5.682
_cell_length_c   5.682
_cell_angle_alpha   136.507
_cell_angle_beta   140.465
_cell_angle_gamma   60.218
_symmetry_Int_Tables_number   1
_cell_volume   79.555
_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  0.540  0.540  0.000  1.0
  Ti  Ti1  1  0.758  0.258  0.500  1.0
  Mn  Mn2  1  0.964  0.964  1.000  1.0
  O  O3  1  0.559  0.059  0.500  1.0
  O  O4  1  0.280  0.280  0.000  1.0
  O  O5  1  0.971  0.471  0.500  1.0
  O  O6  1  0.749  0.749  0.000  1.0
[/CIF]
.