The crystal structure described by MgTi2Al4O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Al(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Al(2)O5 trigonal bipyramids, and  an edgeedge with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), and three equivalent O(1) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 73°. In the second Al site, Al(2) is bonded to two equivalent O(5) and three equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(2)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and edges with three equivalent Al(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Al(1) atoms to form distorted OMgAl3 tetrahedra that share corners with three equivalent O(1)MgAl3 tetrahedra, corners with three equivalent O(3)Mg2TiAl trigonal pyramids, edges with two equivalent O(1)MgAl3 tetrahedra, and edges with two equivalent O(3)Mg2TiAl trigonal pyramids. In the second O site, O(2) is bonded to one Ti(1) and three equivalent Al(2) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(3)Mg2TiAl trigonal pyramid, corners with two equivalent O(2)TiAl3 trigonal pyramids, and edges with two equivalent O(2)TiAl3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one Al(1) atom to form distorted OMg2TiAl trigonal pyramids that share corners with three equivalent O(1)MgAl3 tetrahedra,  a cornercorner with one O(2)TiAl3 trigonal pyramid, corners with four equivalent O(3)Mg2TiAl trigonal pyramids, edges with two equivalent O(1)MgAl3 tetrahedra, and  an edgeedge with one O(3)Mg2TiAl trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Al(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.514
_cell_length_b   5.252
_cell_length_c   11.011
_cell_angle_alpha   95.652
_cell_angle_beta   90.000
_cell_angle_gamma   109.545
_symmetry_Int_Tables_number   1
_cell_volume   190.489
_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  0.500  1.0
  Ti  Ti1  1  0.142  0.283  0.764  1.0
  Ti  Ti2  1  0.858  0.717  0.236  1.0
  Al  Al3  1  0.183  0.366  0.403  1.0
  Al  Al4  1  0.817  0.634  0.597  1.0
  Al  Al5  1  0.139  0.278  0.035  1.0
  Al  Al6  1  0.861  0.722  0.965  1.0
  O  O7  1  0.310  0.620  0.553  1.0
  O  O8  1  0.690  0.380  0.447  1.0
  O  O9  1  0.705  0.410  0.067  1.0
  O  O10  1  0.295  0.590  0.933  1.0
  O  O11  1  0.001  0.003  0.620  1.0
  O  O12  1  0.999  0.997  0.380  1.0
  O  O13  1  0.720  0.441  0.727  1.0
  O  O14  1  0.280  0.559  0.273  1.0
  O  O15  1  0.022  0.044  0.892  1.0
  O  O16  1  0.978  0.956  0.108  1.0
[/CIF]
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The crystal structure described by MgTi2Al4O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Al(1)O5 trigonal bipyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Al(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Al(2)O5 trigonal bipyramids, and  an edgeedge with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), and three equivalent O(1) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 73°. In the second Al site, Al(2) is bonded to two equivalent O(5) and three equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(2)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and edges with three equivalent Al(2)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Al(1) atoms to form distorted OMgAl3 tetrahedra that share corners with three equivalent O(1)MgAl3 tetrahedra, corners with three equivalent O(3)Mg2TiAl trigonal pyramids, edges with two equivalent O(1)MgAl3 tetrahedra, and edges with two equivalent O(3)Mg2TiAl trigonal pyramids. In the second O site, O(2) is bonded to one Ti(1) and three equivalent Al(2) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(3)Mg2TiAl trigonal pyramid, corners with two equivalent O(2)TiAl3 trigonal pyramids, and edges with two equivalent O(2)TiAl3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one Al(1) atom to form distorted OMg2TiAl trigonal pyramids that share corners with three equivalent O(1)MgAl3 tetrahedra,  a cornercorner with one O(2)TiAl3 trigonal pyramid, corners with four equivalent O(3)Mg2TiAl trigonal pyramids, edges with two equivalent O(1)MgAl3 tetrahedra, and  an edgeedge with one O(3)Mg2TiAl trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Al(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_MgTi2Al4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.514
_cell_length_b   5.252
_cell_length_c   11.011
_cell_angle_alpha   95.652
_cell_angle_beta   90.000
_cell_angle_gamma   109.545
_symmetry_Int_Tables_number   1
_cell_volume   190.489
_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  0.500  1.0
  Ti  Ti1  1  0.142  0.283  0.764  1.0
  Ti  Ti2  1  0.858  0.717  0.236  1.0
  Al  Al3  1  0.183  0.366  0.403  1.0
  Al  Al4  1  0.817  0.634  0.597  1.0
  Al  Al5  1  0.139  0.278  0.035  1.0
  Al  Al6  1  0.861  0.722  0.965  1.0
  O  O7  1  0.310  0.620  0.553  1.0
  O  O8  1  0.690  0.380  0.447  1.0
  O  O9  1  0.705  0.410  0.067  1.0
  O  O10  1  0.295  0.590  0.933  1.0
  O  O11  1  0.001  0.003  0.620  1.0
  O  O12  1  0.999  0.997  0.380  1.0
  O  O13  1  0.720  0.441  0.727  1.0
  O  O14  1  0.280  0.559  0.273  1.0
  O  O15  1  0.022  0.044  0.892  1.0
  O  O16  1  0.978  0.956  0.108  1.0
[/CIF]
.