The structure described by MgTi2Al4O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to 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), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing AlO5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(8) atoms to form corner-sharing AlO5 trigonal bipyramids. In the third Al site, Al(3) is bonded to one O(10), one O(7), one O(9), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO5 trigonal bipyramids. In the fourth Al site, Al(4) is bonded to one O(2), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing AlO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Al(2), and one Al(4) atom to form distorted OMg2Al2 tetrahedra that share corners with two equivalent O(2)Mg2Al2 tetrahedra, corners with three equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(9)Mg2TiAl trigonal pyramids, edges with two equivalent O(5)MgTiAl2 tetrahedra, and  an edgeedge with one O(9)Mg2TiAl trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Al(1), and two equivalent Al(3) atoms to form OTiAl3 tetrahedra that share  a cornercorner with one O(5)MgTiAl2 tetrahedra, corners with two equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(3)TiAl3 tetrahedra, corners with three equivalent O(9)Mg2TiAl trigonal pyramids, and edges with two equivalent O(7)TiAl3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ti(2) and one Al(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), and two equivalent Al(4) atoms to form distorted OMgTiAl2 tetrahedra that share  a cornercorner with one O(6)MgTi2Al tetrahedra,  a cornercorner with one O(3)TiAl3 tetrahedra, corners with two equivalent O(5)MgTiAl2 tetrahedra, corners with three equivalent O(9)Mg2TiAl trigonal pyramids, edges with two equivalent O(2)Mg2Al2 tetrahedra, and edges with two equivalent O(6)MgTi2Al tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ti(1), and one Al(4) atom to form OMgTi2Al tetrahedra that share  a cornercorner with one O(5)MgTiAl2 tetrahedra, corners with two equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(3)TiAl3 tetrahedra, corners with three equivalent O(2)Mg2Al2 tetrahedra, edges with two equivalent O(5)MgTiAl2 tetrahedra, and edges with two equivalent O(9)Mg2TiAl trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(2), one Al(3), and two equivalent Al(1) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(9)Mg2TiAl trigonal pyramid, corners with two equivalent O(7)TiAl3 trigonal pyramids, and edges with two equivalent O(3)TiAl3 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2), one Al(4), and two equivalent Al(2) atoms. In the ninth O site, O(9) is bonded to two equivalent Mg(1), one Ti(1), and one Al(3) atom to form distorted OMg2TiAl trigonal pyramids that share corners with two equivalent O(2)Mg2Al2 tetrahedra, corners with three equivalent O(5)MgTiAl2 tetrahedra, corners with three equivalent O(3)TiAl3 tetrahedra,  a cornercorner with one O(7)TiAl3 trigonal pyramid, corners with two equivalent O(9)Mg2TiAl trigonal pyramids,  an edgeedge with one O(2)Mg2Al2 tetrahedra, and edges with two equivalent O(6)MgTi2Al tetrahedra. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.562
_cell_length_b   5.348
_cell_length_c   10.502
_cell_angle_alpha   78.949
_cell_angle_beta   90.093
_cell_angle_gamma   109.460
_symmetry_Int_Tables_number   1
_cell_volume   184.734
_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  0.494  0.987  0.985  1.0
  Ti  Ti1  1  0.163  0.325  0.124  1.0
  Ti  Ti2  1  0.867  0.743  0.557  1.0
  Al  Al3  1  0.153  0.303  0.433  1.0
  Al  Al4  1  0.142  0.286  0.729  1.0
  Al  Al5  1  0.861  0.721  0.277  1.0
  Al  Al6  1  0.810  0.622  0.897  1.0
  O  O7  1  0.054  0.107  0.599  1.0
  O  O8  1  0.997  0.996  0.864  1.0
  O  O9  1  0.282  0.562  0.261  1.0
  O  O10  1  0.306  0.615  0.598  1.0
  O  O11  1  0.305  0.611  0.945  1.0
  O  O12  1  0.668  0.336  0.051  1.0
  O  O13  1  0.721  0.437  0.427  1.0
  O  O14  1  0.708  0.418  0.770  1.0
  O  O15  1  0.964  0.928  0.118  1.0
  O  O16  1  0.995  0.986  0.371  1.0
[/CIF]
.
The structure described by MgTi2Al4O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to 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), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing AlO5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), and two equivalent O(8) atoms to form corner-sharing AlO5 trigonal bipyramids. In the third Al site, Al(3) is bonded to one O(10), one O(7), one O(9), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO5 trigonal bipyramids. In the fourth Al site, Al(4) is bonded to one O(2), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing AlO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Al(2), and one Al(4) atom to form distorted OMg2Al2 tetrahedra that share corners with two equivalent O(2)Mg2Al2 tetrahedra, corners with three equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(9)Mg2TiAl trigonal pyramids, edges with two equivalent O(5)MgTiAl2 tetrahedra, and  an edgeedge with one O(9)Mg2TiAl trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Al(1), and two equivalent Al(3) atoms to form OTiAl3 tetrahedra that share  a cornercorner with one O(5)MgTiAl2 tetrahedra, corners with two equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(3)TiAl3 tetrahedra, corners with three equivalent O(9)Mg2TiAl trigonal pyramids, and edges with two equivalent O(7)TiAl3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ti(2) and one Al(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), and two equivalent Al(4) atoms to form distorted OMgTiAl2 tetrahedra that share  a cornercorner with one O(6)MgTi2Al tetrahedra,  a cornercorner with one O(3)TiAl3 tetrahedra, corners with two equivalent O(5)MgTiAl2 tetrahedra, corners with three equivalent O(9)Mg2TiAl trigonal pyramids, edges with two equivalent O(2)Mg2Al2 tetrahedra, and edges with two equivalent O(6)MgTi2Al tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ti(1), and one Al(4) atom to form OMgTi2Al tetrahedra that share  a cornercorner with one O(5)MgTiAl2 tetrahedra, corners with two equivalent O(6)MgTi2Al tetrahedra, corners with two equivalent O(3)TiAl3 tetrahedra, corners with three equivalent O(2)Mg2Al2 tetrahedra, edges with two equivalent O(5)MgTiAl2 tetrahedra, and edges with two equivalent O(9)Mg2TiAl trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(2), one Al(3), and two equivalent Al(1) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(9)Mg2TiAl trigonal pyramid, corners with two equivalent O(7)TiAl3 trigonal pyramids, and edges with two equivalent O(3)TiAl3 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2), one Al(4), and two equivalent Al(2) atoms. In the ninth O site, O(9) is bonded to two equivalent Mg(1), one Ti(1), and one Al(3) atom to form distorted OMg2TiAl trigonal pyramids that share corners with two equivalent O(2)Mg2Al2 tetrahedra, corners with three equivalent O(5)MgTiAl2 tetrahedra, corners with three equivalent O(3)TiAl3 tetrahedra,  a cornercorner with one O(7)TiAl3 trigonal pyramid, corners with two equivalent O(9)Mg2TiAl trigonal pyramids,  an edgeedge with one O(2)Mg2Al2 tetrahedra, and edges with two equivalent O(6)MgTi2Al tetrahedra. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.562
_cell_length_b   5.348
_cell_length_c   10.502
_cell_angle_alpha   78.949
_cell_angle_beta   90.093
_cell_angle_gamma   109.460
_symmetry_Int_Tables_number   1
_cell_volume   184.734
_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  0.494  0.987  0.985  1.0
  Ti  Ti1  1  0.163  0.325  0.124  1.0
  Ti  Ti2  1  0.867  0.743  0.557  1.0
  Al  Al3  1  0.153  0.303  0.433  1.0
  Al  Al4  1  0.142  0.286  0.729  1.0
  Al  Al5  1  0.861  0.721  0.277  1.0
  Al  Al6  1  0.810  0.622  0.897  1.0
  O  O7  1  0.054  0.107  0.599  1.0
  O  O8  1  0.997  0.996  0.864  1.0
  O  O9  1  0.282  0.562  0.261  1.0
  O  O10  1  0.306  0.615  0.598  1.0
  O  O11  1  0.305  0.611  0.945  1.0
  O  O12  1  0.668  0.336  0.051  1.0
  O  O13  1  0.721  0.437  0.427  1.0
  O  O14  1  0.708  0.418  0.770  1.0
  O  O15  1  0.964  0.928  0.118  1.0
  O  O16  1  0.995  0.986  0.371  1.0
[/CIF]
.