The material structure described by Mg2Ti is beta-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(4), one Ti(2), and two equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with five equivalent Mg(4)Mg8Ti4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(2), and three equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with four equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(4)Mg8Ti4 cuboctahedra, and faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Ti(1), and three equivalent Ti(2) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, and faces with five equivalent Ti(2)Mg8Ti4 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), three equivalent Mg(1), two equivalent Ti(1), and two equivalent Ti(2) atoms to form MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with three equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with five equivalent Mg(1)Mg9Ti3 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), three equivalent Mg(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with five equivalent Mg(2)Mg7Ti5 cuboctahedra. In the second Ti site, Ti(2) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(3), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with five equivalent Mg(3)Mg8Ti4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.022
_cell_length_b   6.022
_cell_length_c   7.448
_cell_angle_alpha   75.239
_cell_angle_beta   75.239
_cell_angle_gamma   28.426
_symmetry_Int_Tables_number   1
_cell_volume   124.045
_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  0.004  0.004  0.998  1.0
  Mg  Mg1  1  0.333  0.333  0.333  1.0
  Mg  Mg2  1  0.669  0.669  0.658  1.0
  Mg  Mg3  1  0.276  0.276  0.949  1.0
  Ti  Ti4  1  0.597  0.597  0.306  1.0
  Ti  Ti5  1  0.955  0.955  0.589  1.0
[/CIF]
.
The material structure described by Mg2Ti is beta-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(4), one Ti(2), and two equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with five equivalent Mg(4)Mg8Ti4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(2), and three equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with four equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(4)Mg8Ti4 cuboctahedra, and faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Ti(1), and three equivalent Ti(2) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with two equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, and faces with five equivalent Ti(2)Mg8Ti4 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), three equivalent Mg(1), two equivalent Ti(1), and two equivalent Ti(2) atoms to form MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with three equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with five equivalent Mg(1)Mg9Ti3 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), three equivalent Mg(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with three equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with five equivalent Mg(2)Mg7Ti5 cuboctahedra. In the second Ti site, Ti(2) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(3), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(4)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(4)Mg8Ti4 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with five equivalent Mg(3)Mg8Ti4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.022
_cell_length_b   6.022
_cell_length_c   7.448
_cell_angle_alpha   75.239
_cell_angle_beta   75.239
_cell_angle_gamma   28.426
_symmetry_Int_Tables_number   1
_cell_volume   124.045
_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  0.004  0.004  0.998  1.0
  Mg  Mg1  1  0.333  0.333  0.333  1.0
  Mg  Mg2  1  0.669  0.669  0.658  1.0
  Mg  Mg3  1  0.276  0.276  0.949  1.0
  Ti  Ti4  1  0.597  0.597  0.306  1.0
  Ti  Ti5  1  0.955  0.955  0.589  1.0
[/CIF]
.