The material structure described by MgTi2Al4O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), two equivalent O(10), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(9), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(7), one O(8), and two equivalent O(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(3), one O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-25°. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(5), and two equivalent O(8) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, corners with two equivalent Al(2)O5 trigonal bipyramids, and edges with two equivalent Al(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the third Al site, Al(3) is bonded to one O(10), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the fourth Al site, Al(4) is bonded to one O(2), one O(8), one O(9), and two equivalent O(5) atoms to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Al(4)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Al(1), and two equivalent Al(3) atoms to form distorted OMgTiAl3 trigonal bipyramids that share  a cornercorner with one O(10)Mg2TiAl2 trigonal bipyramid, corners with two equivalent O(3)MgTiAl3 trigonal bipyramids,  a cornercorner with one O(6)MgTi2Al trigonal pyramid,  a cornercorner with one O(5)TiAl3 trigonal pyramid, edges with two equivalent O(10)Mg2TiAl2 trigonal bipyramids, and edges with two equivalent O(6)MgTi2Al trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one Al(1) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Al(2), and two equivalent Al(4) atoms to form OTiAl3 trigonal pyramids that share  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with two equivalent O(6)MgTi2Al trigonal pyramids, corners with two equivalent O(5)TiAl3 trigonal pyramids, and edges with two equivalent O(8)TiAl3 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ti(1), and one Al(3) atom to form OMgTi2Al trigonal pyramids that share  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiAl2 trigonal bipyramids, corners with two equivalent O(6)MgTi2Al trigonal pyramids, corners with two equivalent O(5)TiAl3 trigonal pyramids, and edges with two equivalent O(3)MgTiAl3 trigonal bipyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Al(3), and two equivalent Al(1) atoms. In the eighth O site, O(8) is bonded to one Ti(2), one Al(4), and two equivalent Al(2) atoms to form OTiAl3 tetrahedra that share corners with two equivalent O(8)TiAl3 tetrahedra,  a cornercorner with one O(10)Mg2TiAl2 trigonal bipyramid, and edges with two equivalent O(5)TiAl3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), one Al(3), and one Al(4) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(2), one Al(1), and one Al(3) atom to form OMg2TiAl2 trigonal bipyramids that share  a cornercorner with one O(8)TiAl3 tetrahedra,  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with two equivalent O(10)Mg2TiAl2 trigonal bipyramids, corners with three equivalent O(6)MgTi2Al trigonal pyramids, and edges with two equivalent O(3)MgTiAl3 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.676
_cell_length_b   5.259
_cell_length_c   9.767
_cell_angle_alpha   90.746
_cell_angle_beta   89.998
_cell_angle_gamma   110.458
_symmetry_Int_Tables_number   1
_cell_volume   176.876
_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  0.495  0.990  0.272  1.0
  Ti  Ti1  1  0.125  0.249  0.058  1.0
  Ti  Ti2  1  0.887  0.774  0.567  1.0
  Al  Al3  1  0.163  0.325  0.443  1.0
  Al  Al4  1  0.186  0.372  0.761  1.0
  Al  Al5  1  0.797  0.592  0.248  1.0
  Al  Al6  1  0.865  0.729  0.922  1.0
  O  O7  1  0.078  0.155  0.609  1.0
  O  O8  1  0.041  0.082  0.876  1.0
  O  O9  1  0.280  0.558  0.264  1.0
  O  O10  1  0.327  0.654  0.550  1.0
  O  O11  1  0.300  0.599  0.927  1.0
  O  O12  1  0.645  0.290  0.123  1.0
  O  O13  1  0.678  0.355  0.404  1.0
  O  O14  1  0.759  0.518  0.755  1.0
  O  O15  1  0.920  0.839  0.106  1.0
  O  O16  1  0.972  0.943  0.365  1.0
[/CIF]
.
The material structure described by MgTi2Al4O10 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), two equivalent O(10), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(9), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(7), one O(8), and two equivalent O(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(3), one O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-25°. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(5), and two equivalent O(8) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, corners with two equivalent Al(2)O5 trigonal bipyramids, and edges with two equivalent Al(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the third Al site, Al(3) is bonded to one O(10), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the fourth Al site, Al(4) is bonded to one O(2), one O(8), one O(9), and two equivalent O(5) atoms to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Al(4)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Al(1), and two equivalent Al(3) atoms to form distorted OMgTiAl3 trigonal bipyramids that share  a cornercorner with one O(10)Mg2TiAl2 trigonal bipyramid, corners with two equivalent O(3)MgTiAl3 trigonal bipyramids,  a cornercorner with one O(6)MgTi2Al trigonal pyramid,  a cornercorner with one O(5)TiAl3 trigonal pyramid, edges with two equivalent O(10)Mg2TiAl2 trigonal bipyramids, and edges with two equivalent O(6)MgTi2Al trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one Al(1) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Al(2), and two equivalent Al(4) atoms to form OTiAl3 trigonal pyramids that share  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with two equivalent O(6)MgTi2Al trigonal pyramids, corners with two equivalent O(5)TiAl3 trigonal pyramids, and edges with two equivalent O(8)TiAl3 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ti(1), and one Al(3) atom to form OMgTi2Al trigonal pyramids that share  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiAl2 trigonal bipyramids, corners with two equivalent O(6)MgTi2Al trigonal pyramids, corners with two equivalent O(5)TiAl3 trigonal pyramids, and edges with two equivalent O(3)MgTiAl3 trigonal bipyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Al(3), and two equivalent Al(1) atoms. In the eighth O site, O(8) is bonded to one Ti(2), one Al(4), and two equivalent Al(2) atoms to form OTiAl3 tetrahedra that share corners with two equivalent O(8)TiAl3 tetrahedra,  a cornercorner with one O(10)Mg2TiAl2 trigonal bipyramid, and edges with two equivalent O(5)TiAl3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), one Al(3), and one Al(4) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(2), one Al(1), and one Al(3) atom to form OMg2TiAl2 trigonal bipyramids that share  a cornercorner with one O(8)TiAl3 tetrahedra,  a cornercorner with one O(3)MgTiAl3 trigonal bipyramid, corners with two equivalent O(10)Mg2TiAl2 trigonal bipyramids, corners with three equivalent O(6)MgTi2Al trigonal pyramids, and edges with two equivalent O(3)MgTiAl3 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.676
_cell_length_b   5.259
_cell_length_c   9.767
_cell_angle_alpha   90.746
_cell_angle_beta   89.998
_cell_angle_gamma   110.458
_symmetry_Int_Tables_number   1
_cell_volume   176.876
_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  0.495  0.990  0.272  1.0
  Ti  Ti1  1  0.125  0.249  0.058  1.0
  Ti  Ti2  1  0.887  0.774  0.567  1.0
  Al  Al3  1  0.163  0.325  0.443  1.0
  Al  Al4  1  0.186  0.372  0.761  1.0
  Al  Al5  1  0.797  0.592  0.248  1.0
  Al  Al6  1  0.865  0.729  0.922  1.0
  O  O7  1  0.078  0.155  0.609  1.0
  O  O8  1  0.041  0.082  0.876  1.0
  O  O9  1  0.280  0.558  0.264  1.0
  O  O10  1  0.327  0.654  0.550  1.0
  O  O11  1  0.300  0.599  0.927  1.0
  O  O12  1  0.645  0.290  0.123  1.0
  O  O13  1  0.678  0.355  0.404  1.0
  O  O14  1  0.759  0.518  0.755  1.0
  O  O15  1  0.920  0.839  0.106  1.0
  O  O16  1  0.972  0.943  0.365  1.0
[/CIF]
.