The structure described by MgTi2 is beta-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(4), and three equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with two equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg4Ti8 cuboctahedra, and faces with five equivalent Ti(2)Mg5Ti7 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(1), two equivalent Ti(2), two equivalent Ti(4), and three equivalent Ti(3) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with five equivalent Ti(3)Mg4Ti8 cuboctahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(4) atoms to form distorted TiMg3Ti9 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, and faces with five equivalent Ti(4)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(2), three equivalent Mg(1), one Ti(4), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(4)Mg4Ti8 cuboctahedra, and faces with five equivalent Mg(1)Mg4Ti8 cuboctahedra. In the third Ti site, Ti(3) is bonded to one Mg(1), three equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, and faces with five equivalent Mg(2)Mg4Ti8 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and three equivalent Ti(1) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with six equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg5Ti7 cuboctahedra, and faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra. is represented by the CIF file [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.809
_cell_length_b   5.809
_cell_length_c   7.133
_cell_angle_alpha   74.793
_cell_angle_beta   74.793
_cell_angle_gamma   28.738
_symmetry_Int_Tables_number   1
_cell_volume   111.393
_cell_formula_units_Z   2
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  0.609  0.609  0.279  1.0
  Mg  Mg1  1  0.943  0.943  0.614  1.0
  Ti  Ti2  1  0.997  0.997  0.998  1.0
  Ti  Ti3  1  0.329  0.329  0.321  1.0
  Ti  Ti4  1  0.674  0.674  0.679  1.0
  Ti  Ti5  1  0.281  0.281  0.942  1.0
[/CIF]
.
The structure described by MgTi2 is beta-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(4), and three equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with two equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg4Ti8 cuboctahedra, and faces with five equivalent Ti(2)Mg5Ti7 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(1), two equivalent Ti(2), two equivalent Ti(4), and three equivalent Ti(3) atoms to form MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with five equivalent Ti(3)Mg4Ti8 cuboctahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(4) atoms to form distorted TiMg3Ti9 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, and faces with five equivalent Ti(4)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(2), three equivalent Mg(1), one Ti(4), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Ti(3)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(4)Mg4Ti8 cuboctahedra, and faces with five equivalent Mg(1)Mg4Ti8 cuboctahedra. In the third Ti site, Ti(3) is bonded to one Mg(1), three equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(4) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with three equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(2)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, and faces with five equivalent Mg(2)Mg4Ti8 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ti(2), two equivalent Ti(3), two equivalent Ti(4), and three equivalent Ti(1) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(4)Mg4Ti8 cuboctahedra, edges with two equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with three equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg5Ti7 cuboctahedra, edges with six equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(4)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(3)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg5Ti7 cuboctahedra, and faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra. is represented by the CIF file [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.809
_cell_length_b   5.809
_cell_length_c   7.133
_cell_angle_alpha   74.793
_cell_angle_beta   74.793
_cell_angle_gamma   28.738
_symmetry_Int_Tables_number   1
_cell_volume   111.393
_cell_formula_units_Z   2
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  0.609  0.609  0.279  1.0
  Mg  Mg1  1  0.943  0.943  0.614  1.0
  Ti  Ti2  1  0.997  0.997  0.998  1.0
  Ti  Ti3  1  0.329  0.329  0.321  1.0
  Ti  Ti4  1  0.674  0.674  0.679  1.0
  Ti  Ti5  1  0.281  0.281  0.942  1.0
[/CIF]
.