The material structure described by Mg5Ti crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(4)Mg11Ti cuboctahedra, edges with three equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with four equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with six equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(3)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(5)Mg10Ti2 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(4)Mg11Ti cuboctahedra, edges with four equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with four equivalent Mg(5)Mg10Ti2 cuboctahedra, and faces with five equivalent Ti(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)Mg11Ti cuboctahedra, edges with three equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with three equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(4)Mg11Ti cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Ti(1) atom to form distorted MgMg11Ti cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with four equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with four equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(3)Mg10Ti2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(4)Mg11Ti cuboctahedra, faces with two equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(2)Mg9Ti3 cuboctahedra, and faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra. Ti(1) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(2), and two equivalent Ti(1) atoms to form TiMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with three equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(4)Mg11Ti cuboctahedra, edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(4)Mg11Ti cuboctahedra, and faces with five equivalent Mg(2)Mg9Ti3 cuboctahedra. is represented by the CIF file [CIF]
data_Mg5Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   7.463
_cell_angle_alpha   75.825
_cell_angle_beta   75.825
_cell_angle_gamma   29.925
_symmetry_Int_Tables_number   1
_cell_volume   130.083
_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  0.002  0.002  0.008  1.0
  Mg  Mg1  1  0.333  0.333  0.331  1.0
  Mg  Mg2  1  0.947  0.947  0.606  1.0
  Mg  Mg3  1  0.666  0.666  0.660  1.0
  Mg  Mg4  1  0.275  0.275  0.950  1.0
  Ti  Ti5  1  0.611  0.611  0.278  1.0
[/CIF]
.
The material structure described by Mg5Ti crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(4)Mg11Ti cuboctahedra, edges with three equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with four equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with six equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(3)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(5)Mg10Ti2 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(4)Mg11Ti cuboctahedra, edges with four equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with four equivalent Mg(5)Mg10Ti2 cuboctahedra, and faces with five equivalent Ti(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)Mg11Ti cuboctahedra, edges with three equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with three equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(4)Mg11Ti cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Ti(1) atom to form distorted MgMg11Ti cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg11Ti cuboctahedra, corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with four equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with six equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with four equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with five equivalent Mg(3)Mg10Ti2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(4)Mg11Ti cuboctahedra, faces with two equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(4)Mg11Ti cuboctahedra, faces with three equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(2)Mg9Ti3 cuboctahedra, and faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra. Ti(1) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(2), and two equivalent Ti(1) atoms to form TiMg10Ti2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(5)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with three equivalent Mg(3)Mg10Ti2 cuboctahedra, edges with three equivalent Mg(5)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(4)Mg11Ti cuboctahedra, edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(3)Mg10Ti2 cuboctahedra, faces with three equivalent Mg(5)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(4)Mg11Ti cuboctahedra, and faces with five equivalent Mg(2)Mg9Ti3 cuboctahedra. is represented by the CIF file [CIF]
data_Mg5Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   7.463
_cell_angle_alpha   75.825
_cell_angle_beta   75.825
_cell_angle_gamma   29.925
_symmetry_Int_Tables_number   1
_cell_volume   130.083
_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  0.002  0.002  0.008  1.0
  Mg  Mg1  1  0.333  0.333  0.331  1.0
  Mg  Mg2  1  0.947  0.947  0.606  1.0
  Mg  Mg3  1  0.666  0.666  0.660  1.0
  Mg  Mg4  1  0.275  0.275  0.950  1.0
  Ti  Ti5  1  0.611  0.611  0.278  1.0
[/CIF]
.