The compound described by MgTi2(Fe2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids, corners with two equivalent Fe(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Fe(3)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), one O(6), one O(9), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and edges with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(6) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(2)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-60°. In the third Fe site, Fe(3) is bonded to one O(10), one O(4), one O(9), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(7) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(2), and one Fe(4) atom to form distorted OMg2Fe2 trigonal pyramids that share corners with three equivalent O(3)MgTi2Fe tetrahedra, corners with three equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with two equivalent O(2)Mg2Fe2 trigonal pyramids, corners with two equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(7)MgTiFe2 tetrahedra, and  an edgeedge with one O(10)Mg2TiFe trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), two equivalent Ti(1), and one Fe(4) atom to form distorted OMgTi2Fe tetrahedra that share  a cornercorner with one O(7)MgTiFe2 tetrahedra,  a cornercorner with one O(6)TiFe3 tetrahedra, corners with two equivalent O(3)MgTi2Fe tetrahedra, corners with two equivalent O(5)TiFe3 tetrahedra, corners with three equivalent O(2)Mg2Fe2 trigonal pyramids, edges with two equivalent O(7)MgTiFe2 tetrahedra, and edges with two equivalent O(10)Mg2TiFe trigonal pyramids. In the fourth O site, O(4) is bonded to one Ti(2), one Fe(3), and two equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(6)TiFe3 tetrahedra,  a cornercorner with one O(10)Mg2TiFe trigonal pyramid, corners with two equivalent O(4)TiFe3 trigonal pyramids, edges with two equivalent O(5)TiFe3 tetrahedra, and edges with two equivalent O(8)Ti2Fe2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OTiFe3 tetrahedra that share  a cornercorner with one O(7)MgTiFe2 tetrahedra, corners with two equivalent O(3)MgTi2Fe tetrahedra, corners with two equivalent O(5)TiFe3 tetrahedra,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with three equivalent O(10)Mg2TiFe trigonal pyramids, and edges with two equivalent O(4)TiFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(4), and two equivalent Fe(2) atoms to form OTiFe3 tetrahedra that share  a cornercorner with one O(3)MgTi2Fe tetrahedra, corners with two equivalent O(7)MgTiFe2 tetrahedra, corners with two equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(4)TiFe3 trigonal pyramid, corners with three equivalent O(2)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(8)Ti2Fe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(1), and two equivalent Fe(4) atoms to form OMgTiFe2 tetrahedra that share  a cornercorner with one O(3)MgTi2Fe tetrahedra,  a cornercorner with one O(5)TiFe3 tetrahedra, corners with two equivalent O(7)MgTiFe2 tetrahedra, corners with two equivalent O(6)TiFe3 tetrahedra, corners with three equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(3)MgTi2Fe tetrahedra, and edges with two equivalent O(2)Mg2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Ti(2), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(5)TiFe3 tetrahedra,  a cornercorner with one O(2)Mg2Fe2 trigonal pyramid, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, edges with two equivalent O(6)TiFe3 tetrahedra, and edges with two equivalent O(4)TiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(1), and one Fe(3) atom to form distorted OMg2TiFe trigonal pyramids that share corners with three equivalent O(7)MgTiFe2 tetrahedra, corners with three equivalent O(5)TiFe3 tetrahedra,  a cornercorner with one O(4)TiFe3 trigonal pyramid, corners with two equivalent O(2)Mg2Fe2 trigonal pyramids, corners with two equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(3)MgTi2Fe tetrahedra, and  an edgeedge with one O(2)Mg2Fe2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgTi2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   5.512
_cell_length_c   11.013
_cell_angle_alpha   99.292
_cell_angle_beta   89.999
_cell_angle_gamma   70.433
_symmetry_Int_Tables_number   1
_cell_volume   208.035
_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  0.504  0.992  0.990  1.0
  Ti  Ti1  1  0.175  0.651  0.105  1.0
  Ti  Ti2  1  0.860  0.281  0.554  1.0
  Fe  Fe3  1  0.142  0.716  0.440  1.0
  Fe  Fe4  1  0.145  0.710  0.727  1.0
  Fe  Fe5  1  0.848  0.304  0.269  1.0
  Fe  Fe6  1  0.826  0.348  0.882  1.0
  O  O7  1  0.019  0.961  0.615  1.0
  O  O8  1  0.035  0.929  0.880  1.0
  O  O9  1  0.672  0.655  0.057  1.0
  O  O10  1  0.707  0.586  0.443  1.0
  O  O11  1  0.241  0.517  0.252  1.0
  O  O12  1  0.731  0.538  0.735  1.0
  O  O13  1  0.322  0.356  0.965  1.0
  O  O14  1  0.301  0.398  0.571  1.0
  O  O15  1  0.968  0.064  0.399  1.0
  O  O16  1  0.993  0.015  0.125  1.0
[/CIF]
.
The compound described by MgTi2(Fe2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids, corners with two equivalent Fe(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Fe(3)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), one O(6), one O(9), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and edges with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(8), one O(9), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(6) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(2)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-60°. In the third Fe site, Fe(3) is bonded to one O(10), one O(4), one O(9), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(7) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(2), and one Fe(4) atom to form distorted OMg2Fe2 trigonal pyramids that share corners with three equivalent O(3)MgTi2Fe tetrahedra, corners with three equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with two equivalent O(2)Mg2Fe2 trigonal pyramids, corners with two equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(7)MgTiFe2 tetrahedra, and  an edgeedge with one O(10)Mg2TiFe trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), two equivalent Ti(1), and one Fe(4) atom to form distorted OMgTi2Fe tetrahedra that share  a cornercorner with one O(7)MgTiFe2 tetrahedra,  a cornercorner with one O(6)TiFe3 tetrahedra, corners with two equivalent O(3)MgTi2Fe tetrahedra, corners with two equivalent O(5)TiFe3 tetrahedra, corners with three equivalent O(2)Mg2Fe2 trigonal pyramids, edges with two equivalent O(7)MgTiFe2 tetrahedra, and edges with two equivalent O(10)Mg2TiFe trigonal pyramids. In the fourth O site, O(4) is bonded to one Ti(2), one Fe(3), and two equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(6)TiFe3 tetrahedra,  a cornercorner with one O(10)Mg2TiFe trigonal pyramid, corners with two equivalent O(4)TiFe3 trigonal pyramids, edges with two equivalent O(5)TiFe3 tetrahedra, and edges with two equivalent O(8)Ti2Fe2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ti(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OTiFe3 tetrahedra that share  a cornercorner with one O(7)MgTiFe2 tetrahedra, corners with two equivalent O(3)MgTi2Fe tetrahedra, corners with two equivalent O(5)TiFe3 tetrahedra,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with three equivalent O(10)Mg2TiFe trigonal pyramids, and edges with two equivalent O(4)TiFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(4), and two equivalent Fe(2) atoms to form OTiFe3 tetrahedra that share  a cornercorner with one O(3)MgTi2Fe tetrahedra, corners with two equivalent O(7)MgTiFe2 tetrahedra, corners with two equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(4)TiFe3 trigonal pyramid, corners with three equivalent O(2)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(8)Ti2Fe2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(1), and two equivalent Fe(4) atoms to form OMgTiFe2 tetrahedra that share  a cornercorner with one O(3)MgTi2Fe tetrahedra,  a cornercorner with one O(5)TiFe3 tetrahedra, corners with two equivalent O(7)MgTiFe2 tetrahedra, corners with two equivalent O(6)TiFe3 tetrahedra, corners with three equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(3)MgTi2Fe tetrahedra, and edges with two equivalent O(2)Mg2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Ti(2), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(5)TiFe3 tetrahedra,  a cornercorner with one O(2)Mg2Fe2 trigonal pyramid, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, edges with two equivalent O(6)TiFe3 tetrahedra, and edges with two equivalent O(4)TiFe3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(1), and one Fe(3) atom to form distorted OMg2TiFe trigonal pyramids that share corners with three equivalent O(7)MgTiFe2 tetrahedra, corners with three equivalent O(5)TiFe3 tetrahedra,  a cornercorner with one O(4)TiFe3 trigonal pyramid, corners with two equivalent O(2)Mg2Fe2 trigonal pyramids, corners with two equivalent O(10)Mg2TiFe trigonal pyramids, edges with two equivalent O(3)MgTi2Fe tetrahedra, and  an edgeedge with one O(2)Mg2Fe2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgTi2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   5.512
_cell_length_c   11.013
_cell_angle_alpha   99.292
_cell_angle_beta   89.999
_cell_angle_gamma   70.433
_symmetry_Int_Tables_number   1
_cell_volume   208.035
_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  0.504  0.992  0.990  1.0
  Ti  Ti1  1  0.175  0.651  0.105  1.0
  Ti  Ti2  1  0.860  0.281  0.554  1.0
  Fe  Fe3  1  0.142  0.716  0.440  1.0
  Fe  Fe4  1  0.145  0.710  0.727  1.0
  Fe  Fe5  1  0.848  0.304  0.269  1.0
  Fe  Fe6  1  0.826  0.348  0.882  1.0
  O  O7  1  0.019  0.961  0.615  1.0
  O  O8  1  0.035  0.929  0.880  1.0
  O  O9  1  0.672  0.655  0.057  1.0
  O  O10  1  0.707  0.586  0.443  1.0
  O  O11  1  0.241  0.517  0.252  1.0
  O  O12  1  0.731  0.538  0.735  1.0
  O  O13  1  0.322  0.356  0.965  1.0
  O  O14  1  0.301  0.398  0.571  1.0
  O  O15  1  0.968  0.064  0.399  1.0
  O  O16  1  0.993  0.015  0.125  1.0
[/CIF]
.