The crystal structure described by MgTi2(FeO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with six equivalent O(3)MgTiFe3 square pyramids, corners with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with two equivalent O(3)MgTiFe3 square pyramids, and  an edgeedge with one O(2)MgTi2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), one Fe(1), and one Fe(3) atom to form OMgTi2Fe2 trigonal bipyramids that share corners with two equivalent O(3)MgTiFe3 square pyramids, corners with four equivalent O(2)MgTi2Fe2 trigonal bipyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with six equivalent O(3)MgTiFe3 square pyramids, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgTiFe3 square pyramids that share corners with five equivalent O(3)MgTiFe3 square pyramids,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with three equivalent O(3)MgTiFe3 square pyramids, edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_MgTi2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.538
_cell_length_b   6.534
_cell_length_c   6.312
_cell_angle_alpha   55.824
_cell_angle_beta   55.804
_cell_angle_gamma   54.351
_symmetry_Int_Tables_number   1
_cell_volume   169.878
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.150  0.150  0.161  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Fe  Fe6  1  0.850  0.850  0.839  1.0
  O  O7  1  0.268  0.268  0.271  1.0
  O  O8  1  0.231  0.231  0.756  1.0
  O  O9  1  0.225  0.737  0.266  1.0
  O  O10  1  0.737  0.225  0.267  1.0
  O  O11  1  0.263  0.775  0.733  1.0
  O  O12  1  0.775  0.263  0.734  1.0
  O  O13  1  0.769  0.769  0.244  1.0
  O  O14  1  0.732  0.732  0.729  1.0
[/CIF]
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The crystal structure described by MgTi2(FeO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Fe(1), and one Fe(2) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with six equivalent O(3)MgTiFe3 square pyramids, corners with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with two equivalent O(3)MgTiFe3 square pyramids, and  an edgeedge with one O(2)MgTi2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), one Fe(1), and one Fe(3) atom to form OMgTi2Fe2 trigonal bipyramids that share corners with two equivalent O(3)MgTiFe3 square pyramids, corners with four equivalent O(2)MgTi2Fe2 trigonal bipyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with six equivalent O(3)MgTiFe3 square pyramids, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgTiFe3 square pyramids that share corners with five equivalent O(3)MgTiFe3 square pyramids,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, edges with three equivalent O(3)MgTiFe3 square pyramids, edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_MgTi2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.538
_cell_length_b   6.534
_cell_length_c   6.312
_cell_angle_alpha   55.824
_cell_angle_beta   55.804
_cell_angle_gamma   54.351
_symmetry_Int_Tables_number   1
_cell_volume   169.878
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.150  0.150  0.161  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Fe  Fe6  1  0.850  0.850  0.839  1.0
  O  O7  1  0.268  0.268  0.271  1.0
  O  O8  1  0.231  0.231  0.756  1.0
  O  O9  1  0.225  0.737  0.266  1.0
  O  O10  1  0.737  0.225  0.267  1.0
  O  O11  1  0.263  0.775  0.733  1.0
  O  O12  1  0.775  0.263  0.734  1.0
  O  O13  1  0.769  0.769  0.244  1.0
  O  O14  1  0.732  0.732  0.729  1.0
[/CIF]
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