The structure described by MgTi crystallizes in the orthorhombic Pmm2 space group. There are three 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), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with four equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with four equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(3) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with two equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with two equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with eight equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(1)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with two equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(3) atoms to form distorted TiMg6Ti6 cuboctahedra that share corners with two equivalent Ti(2)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(1)Mg6Ti6 cuboctahedra. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. is represented by the CIF file [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   5.242
_cell_length_c   6.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.463
_cell_formula_units_Z   4
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  0.000  0.502  0.234  1.0
  Mg  Mg1  1  0.000  0.020  0.500  1.0
  Mg  Mg2  1  0.000  0.502  0.766  1.0
  Mg  Mg3  1  0.500  0.659  0.500  1.0
  Ti  Ti4  1  0.000  0.006  0.000  1.0
  Ti  Ti5  1  0.500  0.686  0.000  1.0
  Ti  Ti6  1  0.500  0.146  0.214  1.0
  Ti  Ti7  1  0.500  0.146  0.786  1.0
[/CIF]
.
The structure described by MgTi crystallizes in the orthorhombic Pmm2 space group. There are three 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), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with four equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with four equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with ten equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(3) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with two equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with two equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with eight equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(1)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with two equivalent Ti(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(1), and four equivalent Ti(3) atoms to form distorted TiMg6Ti6 cuboctahedra that share corners with two equivalent Ti(2)Mg6Ti6 cuboctahedra, corners with eight equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with four equivalent Ti(1)Mg6Ti6 cuboctahedra. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. is represented by the CIF file [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   5.242
_cell_length_c   6.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.463
_cell_formula_units_Z   4
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  0.000  0.502  0.234  1.0
  Mg  Mg1  1  0.000  0.020  0.500  1.0
  Mg  Mg2  1  0.000  0.502  0.766  1.0
  Mg  Mg3  1  0.500  0.659  0.500  1.0
  Ti  Ti4  1  0.000  0.006  0.000  1.0
  Ti  Ti5  1  0.500  0.686  0.000  1.0
  Ti  Ti6  1  0.500  0.146  0.214  1.0
  Ti  Ti7  1  0.500  0.146  0.786  1.0
[/CIF]
.