The structure described by MgTi2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)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 37-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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   5.869
_cell_length_b   5.866
_cell_length_c   5.856
_cell_angle_alpha   52.799
_cell_angle_beta   52.637
_cell_angle_gamma   52.530
_symmetry_Int_Tables_number   1
_cell_volume   117.993
_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  0.640  0.641  0.640  1.0
  Ti  Ti1  1  0.295  0.293  0.298  1.0
  Ti  Ti2  1  0.818  0.818  0.818  1.0
  Fe  Fe3  1  0.006  0.004  0.010  1.0
  Fe  Fe4  1  0.472  0.473  0.474  1.0
  O  O5  1  0.580  0.219  0.893  1.0
  O  O6  1  0.219  0.900  0.574  1.0
  O  O7  1  0.898  0.578  0.219  1.0
  O  O8  1  0.435  0.685  0.053  1.0
  O  O9  1  0.049  0.436  0.684  1.0
  O  O10  1  0.684  0.051  0.435  1.0
[/CIF]
.
The structure described by MgTi2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)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 37-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Fe2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom 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   5.869
_cell_length_b   5.866
_cell_length_c   5.856
_cell_angle_alpha   52.799
_cell_angle_beta   52.637
_cell_angle_gamma   52.530
_symmetry_Int_Tables_number   1
_cell_volume   117.993
_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  0.640  0.641  0.640  1.0
  Ti  Ti1  1  0.295  0.293  0.298  1.0
  Ti  Ti2  1  0.818  0.818  0.818  1.0
  Fe  Fe3  1  0.006  0.004  0.010  1.0
  Fe  Fe4  1  0.472  0.473  0.474  1.0
  O  O5  1  0.580  0.219  0.893  1.0
  O  O6  1  0.219  0.900  0.574  1.0
  O  O7  1  0.898  0.578  0.219  1.0
  O  O8  1  0.435  0.685  0.053  1.0
  O  O9  1  0.049  0.436  0.684  1.0
  O  O10  1  0.684  0.051  0.435  1.0
[/CIF]
.