The crystal structure described by MgTi4(FeO5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(5), two equivalent O(1), and four equivalent O(3) atoms to form distorted MgO7 hexagonal pyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O7 hexagonal pyramids,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-73°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-68°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O7 hexagonal pyramid, edges with four equivalent Ti(2)O6 octahedra, and faces with two equivalent Mg(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 15-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Ti(2), two equivalent Ti(1), and one Fe(1) atom to form OTi3Fe trigonal pyramids that share  a cornercorner with one O(5)MgTi2Fe2 trigonal bipyramid, corners with three equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with three equivalent O(2)Ti3Fe trigonal pyramids, and edges with two equivalent O(6)Ti2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(2), and one Fe(2) atom to form OMg2Ti2Fe trigonal bipyramids that share  a cornercorner with one O(6)Ti2Fe2 tetrahedra,  a cornercorner with one O(5)MgTi2Fe2 trigonal bipyramid, corners with four equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with three equivalent O(2)Ti3Fe trigonal pyramids, edges with two equivalent O(5)MgTi2Fe2 trigonal bipyramids, and  a faceface with one O(3)Mg2Ti2Fe trigonal bipyramid. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent Ti(2), and two equivalent Fe(2) atoms to form OMgTi2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with two equivalent O(5)MgTi2Fe2 trigonal bipyramids, corners with two equivalent O(2)Ti3Fe trigonal pyramids, and edges with four equivalent O(3)Mg2Ti2Fe trigonal bipyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(6)Ti2Fe2 tetrahedra, corners with two equivalent O(3)Mg2Ti2Fe trigonal bipyramids, and edges with four equivalent O(2)Ti3Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi4(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.804
_cell_length_b   5.474
_cell_length_c   10.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   197.620
_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  0.518  0.039  0.750  1.0
  Ti  Ti1  1  0.117  0.233  0.067  1.0
  Ti  Ti2  1  0.862  0.727  0.940  1.0
  Ti  Ti3  1  0.862  0.727  0.560  1.0
  Ti  Ti4  1  0.117  0.233  0.433  1.0
  Fe  Fe5  1  0.792  0.584  0.250  1.0
  Fe  Fe6  1  0.212  0.426  0.750  1.0
  O  O7  1  0.360  0.721  0.597  1.0
  O  O8  1  0.685  0.368  0.453  1.0
  O  O9  1  0.685  0.368  0.047  1.0
  O  O10  1  0.360  0.721  0.903  1.0
  O  O11  1  0.048  0.096  0.623  1.0
  O  O12  1  0.943  0.887  0.385  1.0
  O  O13  1  0.736  0.475  0.750  1.0
  O  O14  1  0.193  0.386  0.250  1.0
  O  O15  1  0.943  0.887  0.115  1.0
  O  O16  1  0.048  0.096  0.877  1.0
[/CIF]
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The crystal structure described by MgTi4(FeO5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(5), two equivalent O(1), and four equivalent O(3) atoms to form distorted MgO7 hexagonal pyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, edges with four equivalent Ti(2)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O7 hexagonal pyramids,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-73°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-68°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O7 hexagonal pyramid, edges with four equivalent Ti(2)O6 octahedra, and faces with two equivalent Mg(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 15-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Ti(2), two equivalent Ti(1), and one Fe(1) atom to form OTi3Fe trigonal pyramids that share  a cornercorner with one O(5)MgTi2Fe2 trigonal bipyramid, corners with three equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with three equivalent O(2)Ti3Fe trigonal pyramids, and edges with two equivalent O(6)Ti2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(2), and one Fe(2) atom to form OMg2Ti2Fe trigonal bipyramids that share  a cornercorner with one O(6)Ti2Fe2 tetrahedra,  a cornercorner with one O(5)MgTi2Fe2 trigonal bipyramid, corners with four equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with three equivalent O(2)Ti3Fe trigonal pyramids, edges with two equivalent O(5)MgTi2Fe2 trigonal bipyramids, and  a faceface with one O(3)Mg2Ti2Fe trigonal bipyramid. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), two equivalent Ti(2), and two equivalent Fe(2) atoms to form OMgTi2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Mg2Ti2Fe trigonal bipyramids, corners with two equivalent O(5)MgTi2Fe2 trigonal bipyramids, corners with two equivalent O(2)Ti3Fe trigonal pyramids, and edges with four equivalent O(3)Mg2Ti2Fe trigonal bipyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(6)Ti2Fe2 tetrahedra, corners with two equivalent O(3)Mg2Ti2Fe trigonal bipyramids, and edges with four equivalent O(2)Ti3Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi4(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.804
_cell_length_b   5.474
_cell_length_c   10.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   197.620
_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  0.518  0.039  0.750  1.0
  Ti  Ti1  1  0.117  0.233  0.067  1.0
  Ti  Ti2  1  0.862  0.727  0.940  1.0
  Ti  Ti3  1  0.862  0.727  0.560  1.0
  Ti  Ti4  1  0.117  0.233  0.433  1.0
  Fe  Fe5  1  0.792  0.584  0.250  1.0
  Fe  Fe6  1  0.212  0.426  0.750  1.0
  O  O7  1  0.360  0.721  0.597  1.0
  O  O8  1  0.685  0.368  0.453  1.0
  O  O9  1  0.685  0.368  0.047  1.0
  O  O10  1  0.360  0.721  0.903  1.0
  O  O11  1  0.048  0.096  0.623  1.0
  O  O12  1  0.943  0.887  0.385  1.0
  O  O13  1  0.736  0.475  0.750  1.0
  O  O14  1  0.193  0.386  0.250  1.0
  O  O15  1  0.943  0.887  0.115  1.0
  O  O16  1  0.048  0.096  0.877  1.0
[/CIF]
.