The compound described by MgTi2(Fe2O5)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-74°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(5), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-74°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and three equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(4)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)MgTiFe3 trigonal bipyramid, corners with two equivalent O(1)TiFe3 trigonal pyramids, edges with two equivalent O(4)Ti2Fe2 tetrahedra, and edges with two equivalent O(1)TiFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), and three equivalent Fe(2) atoms to form OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(4)Ti2Fe2 tetrahedra, corners with three equivalent O(2)MgTiFe3 trigonal bipyramids,  a cornercorner with one O(1)TiFe3 trigonal pyramid, edges with two equivalent O(4)Ti2Fe2 tetrahedra, and edges with two equivalent O(2)MgTiFe3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ti(1), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(4)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)MgTiFe3 trigonal bipyramid,  a cornercorner with one O(1)TiFe3 trigonal pyramid, edges with two equivalent O(2)MgTiFe3 trigonal bipyramids, and edges with two equivalent O(1)TiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_MgTi2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.972
_cell_length_b   5.351
_cell_length_c   10.003
_cell_angle_alpha   88.407
_cell_angle_beta   90.000
_cell_angle_gamma   111.783
_symmetry_Int_Tables_number   1
_cell_volume   197.344
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.177  0.355  0.745  1.0
  Ti  Ti2  1  0.823  0.645  0.255  1.0
  Fe  Fe3  1  0.146  0.292  0.441  1.0
  Fe  Fe4  1  0.854  0.708  0.559  1.0
  Fe  Fe5  1  0.833  0.667  0.922  1.0
  Fe  Fe6  1  0.167  0.333  0.078  1.0
  O  O7  1  0.308  0.616  0.574  1.0
  O  O8  1  0.692  0.384  0.426  1.0
  O  O9  1  0.678  0.356  0.087  1.0
  O  O10  1  0.322  0.644  0.913  1.0
  O  O11  1  0.043  0.086  0.620  1.0
  O  O12  1  0.957  0.914  0.380  1.0
  O  O13  1  0.731  0.461  0.738  1.0
  O  O14  1  0.269  0.539  0.262  1.0
  O  O15  1  0.947  0.893  0.114  1.0
  O  O16  1  0.053  0.107  0.886  1.0
[/CIF]
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The compound described by MgTi2(Fe2O5)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-74°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(5), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-74°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and three equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(4)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)MgTiFe3 trigonal bipyramid, corners with two equivalent O(1)TiFe3 trigonal pyramids, edges with two equivalent O(4)Ti2Fe2 tetrahedra, and edges with two equivalent O(1)TiFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), and three equivalent Fe(2) atoms to form OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(4)Ti2Fe2 tetrahedra, corners with three equivalent O(2)MgTiFe3 trigonal bipyramids,  a cornercorner with one O(1)TiFe3 trigonal pyramid, edges with two equivalent O(4)Ti2Fe2 tetrahedra, and edges with two equivalent O(2)MgTiFe3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ti(1), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(4)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)MgTiFe3 trigonal bipyramid,  a cornercorner with one O(1)TiFe3 trigonal pyramid, edges with two equivalent O(2)MgTiFe3 trigonal bipyramids, and edges with two equivalent O(1)TiFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_MgTi2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.972
_cell_length_b   5.351
_cell_length_c   10.003
_cell_angle_alpha   88.407
_cell_angle_beta   90.000
_cell_angle_gamma   111.783
_symmetry_Int_Tables_number   1
_cell_volume   197.344
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.177  0.355  0.745  1.0
  Ti  Ti2  1  0.823  0.645  0.255  1.0
  Fe  Fe3  1  0.146  0.292  0.441  1.0
  Fe  Fe4  1  0.854  0.708  0.559  1.0
  Fe  Fe5  1  0.833  0.667  0.922  1.0
  Fe  Fe6  1  0.167  0.333  0.078  1.0
  O  O7  1  0.308  0.616  0.574  1.0
  O  O8  1  0.692  0.384  0.426  1.0
  O  O9  1  0.678  0.356  0.087  1.0
  O  O10  1  0.322  0.644  0.913  1.0
  O  O11  1  0.043  0.086  0.620  1.0
  O  O12  1  0.957  0.914  0.380  1.0
  O  O13  1  0.731  0.461  0.738  1.0
  O  O14  1  0.269  0.539  0.262  1.0
  O  O15  1  0.947  0.893  0.114  1.0
  O  O16  1  0.053  0.107  0.886  1.0
[/CIF]
.