The material 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(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. 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 TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. 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, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. 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 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. 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 in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. 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 in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgTi2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   6.060
_cell_length_c   5.789
_cell_angle_alpha   52.213
_cell_angle_beta   52.929
_cell_angle_gamma   50.810
_symmetry_Int_Tables_number   1
_cell_volume   119.673
_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  0.503  0.496  0.502  1.0
  Ti  Ti1  1  0.679  0.685  0.661  1.0
  Ti  Ti2  1  0.310  0.322  0.341  1.0
  Fe  Fe3  1  0.865  0.862  0.862  1.0
  Fe  Fe4  1  0.131  0.134  0.136  1.0
  O  O5  1  0.079  0.717  0.463  1.0
  O  O6  1  0.714  0.437  0.090  1.0
  O  O7  1  0.454  0.095  0.711  1.0
  O  O8  1  0.920  0.278  0.551  1.0
  O  O9  1  0.544  0.910  0.275  1.0
  O  O10  1  0.300  0.565  0.908  1.0
[/CIF]
.
The material 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(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. 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 TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. 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, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. 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 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. 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 in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. 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 in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgTi2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   6.060
_cell_length_c   5.789
_cell_angle_alpha   52.213
_cell_angle_beta   52.929
_cell_angle_gamma   50.810
_symmetry_Int_Tables_number   1
_cell_volume   119.673
_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  0.503  0.496  0.502  1.0
  Ti  Ti1  1  0.679  0.685  0.661  1.0
  Ti  Ti2  1  0.310  0.322  0.341  1.0
  Fe  Fe3  1  0.865  0.862  0.862  1.0
  Fe  Fe4  1  0.131  0.134  0.136  1.0
  O  O5  1  0.079  0.717  0.463  1.0
  O  O6  1  0.714  0.437  0.090  1.0
  O  O7  1  0.454  0.095  0.711  1.0
  O  O8  1  0.920  0.278  0.551  1.0
  O  O9  1  0.544  0.910  0.275  1.0
  O  O10  1  0.300  0.565  0.908  1.0
[/CIF]
.