The material described by MgTi2(FeO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgTi2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   5.946
_cell_length_c   5.991
_cell_angle_alpha   50.932
_cell_angle_beta   51.585
_cell_angle_gamma   51.731
_symmetry_Int_Tables_number   1
_cell_volume   118.624
_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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.642  0.652  0.661  1.0
  Ti  Ti2  1  0.358  0.348  0.339  1.0
  Fe  Fe3  1  0.830  0.837  0.823  1.0
  Fe  Fe4  1  0.170  0.163  0.176  1.0
  O  O5  1  0.061  0.745  0.410  1.0
  O  O6  1  0.768  0.407  0.059  1.0
  O  O7  1  0.423  0.051  0.752  1.0
  O  O8  1  0.938  0.254  0.590  1.0
  O  O9  1  0.576  0.950  0.248  1.0
  O  O10  1  0.232  0.593  0.941  1.0
[/CIF]
.
The material described by MgTi2(FeO3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgTi2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   5.946
_cell_length_c   5.991
_cell_angle_alpha   50.932
_cell_angle_beta   51.585
_cell_angle_gamma   51.731
_symmetry_Int_Tables_number   1
_cell_volume   118.624
_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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.642  0.652  0.661  1.0
  Ti  Ti2  1  0.358  0.348  0.339  1.0
  Fe  Fe3  1  0.830  0.837  0.823  1.0
  Fe  Fe4  1  0.170  0.163  0.176  1.0
  O  O5  1  0.061  0.745  0.410  1.0
  O  O6  1  0.768  0.407  0.059  1.0
  O  O7  1  0.423  0.051  0.752  1.0
  O  O8  1  0.938  0.254  0.590  1.0
  O  O9  1  0.576  0.950  0.248  1.0
  O  O10  1  0.232  0.593  0.941  1.0
[/CIF]
.