The material described by MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), four equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(3), and four equivalent Ti(2) atoms to form distorted MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(1)Mg4Ti8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(2)Mg8Ti4 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg6Ti6 cuboctahedra, and faces with six equivalent Mg(2)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with six equivalent Mg(3)Mg8Ti4 cuboctahedra. In the third Ti site, Ti(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(3), and four equivalent Ti(1) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg6Ti6 cuboctahedra, and faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   8.110
_cell_length_c   4.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.715
_symmetry_Int_Tables_number   1
_cell_volume   116.602
_cell_formula_units_Z   3
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  0.336  0.664  0.000  1.0
  Mg  Mg1  1  0.110  0.890  0.500  1.0
  Mg  Mg2  1  0.776  0.224  0.500  1.0
  Ti  Ti3  1  0.005  0.995  0.000  1.0
  Ti  Ti4  1  0.653  0.347  0.000  1.0
  Ti  Ti5  1  0.453  0.547  0.500  1.0
[/CIF]
.
The material described by MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), four equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(3), and four equivalent Ti(2) atoms to form distorted MgMg4Ti8 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with three equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(1)Mg4Ti8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form MgMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with eight equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg8Ti4 cuboctahedra, and faces with six equivalent Ti(2)Mg8Ti4 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), and four equivalent Ti(3) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with eight equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg6Ti6 cuboctahedra, and faces with six equivalent Mg(2)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(2)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(3)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(2)Mg8Ti4 cuboctahedra, and faces with six equivalent Mg(3)Mg8Ti4 cuboctahedra. In the third Ti site, Ti(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Ti(3), and four equivalent Ti(1) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti4 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with three equivalent Mg(3)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti4 cuboctahedra, faces with two equivalent Ti(2)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg6Ti6 cuboctahedra, and faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   8.110
_cell_length_c   4.884
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.715
_symmetry_Int_Tables_number   1
_cell_volume   116.602
_cell_formula_units_Z   3
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  0.336  0.664  0.000  1.0
  Mg  Mg1  1  0.110  0.890  0.500  1.0
  Mg  Mg2  1  0.776  0.224  0.500  1.0
  Ti  Ti3  1  0.005  0.995  0.000  1.0
  Ti  Ti4  1  0.653  0.347  0.000  1.0
  Ti  Ti5  1  0.453  0.547  0.500  1.0
[/CIF]
.