The compound described by MgTi is beta-derived structured and crystallizes in the monoclinic Cm 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(3), three equivalent Mg(2), one Ti(2), two equivalent Ti(1), and two equivalent Ti(3) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra, and faces with five equivalent Mg(2)Mg7Ti5 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Ti(3), two equivalent Ti(1), and two equivalent Ti(2) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with three equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with six equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Ti(3)Mg5Ti7 cuboctahedra, and faces with five equivalent Mg(1)Mg7Ti5 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Ti(1), two equivalent Ti(3), and three equivalent Ti(2) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with four equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(1)Mg5Ti7 cuboctahedra, and faces with five equivalent Ti(2)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), and three equivalent Ti(3) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with five equivalent Ti(3)Mg5Ti7 cuboctahedra. In the second Ti site, Ti(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(1)Mg7Ti5 cuboctahedra, and faces with five equivalent Mg(3)Mg6Ti6 cuboctahedra. In the third Ti site, Ti(3) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(1) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with five equivalent Ti(1)Mg5Ti7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.662
_cell_length_c   7.450
_cell_angle_alpha   76.101
_cell_angle_beta   76.101
_cell_angle_gamma   30.416
_symmetry_Int_Tables_number   1
_cell_volume   117.082
_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  0.612  0.612  0.275  1.0
  Mg  Mg1  1  0.334  0.334  0.328  1.0
  Mg  Mg2  1  0.942  0.942  0.619  1.0
  Ti  Ti3  1  0.004  0.004  0.982  1.0
  Ti  Ti4  1  0.663  0.663  0.696  1.0
  Ti  Ti5  1  0.278  0.278  0.934  1.0
[/CIF]
.
The compound described by MgTi is beta-derived structured and crystallizes in the monoclinic Cm 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(3), three equivalent Mg(2), one Ti(2), two equivalent Ti(1), and two equivalent Ti(3) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with four equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(2)Mg6Ti6 cuboctahedra, and faces with five equivalent Mg(2)Mg7Ti5 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Ti(3), two equivalent Ti(1), and two equivalent Ti(2) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with three equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with six equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with two equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Ti(3)Mg5Ti7 cuboctahedra, and faces with five equivalent Mg(1)Mg7Ti5 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Ti(1), two equivalent Ti(3), and three equivalent Ti(2) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with four equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Ti(1)Mg5Ti7 cuboctahedra, and faces with five equivalent Ti(2)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Ti(1), two equivalent Ti(2), and three equivalent Ti(3) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra, and faces with five equivalent Ti(3)Mg5Ti7 cuboctahedra. In the second Ti site, Ti(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(2)Mg6Ti6 cuboctahedra, edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with three equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with two equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with three equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with four equivalent Mg(1)Mg7Ti5 cuboctahedra, and faces with five equivalent Mg(3)Mg6Ti6 cuboctahedra. In the third Ti site, Ti(3) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Ti(2), two equivalent Ti(3), and three equivalent Ti(1) atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(3)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(1)Mg7Ti5 cuboctahedra, corners with six equivalent Ti(3)Mg5Ti7 cuboctahedra, edges with two equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with three equivalent Mg(3)Mg6Ti6 cuboctahedra, edges with three equivalent Mg(1)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with two equivalent Ti(3)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra, faces with three equivalent Mg(1)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(2)Mg6Ti6 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with five equivalent Ti(1)Mg5Ti7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.662
_cell_length_c   7.450
_cell_angle_alpha   76.101
_cell_angle_beta   76.101
_cell_angle_gamma   30.416
_symmetry_Int_Tables_number   1
_cell_volume   117.082
_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  0.612  0.612  0.275  1.0
  Mg  Mg1  1  0.334  0.334  0.328  1.0
  Mg  Mg2  1  0.942  0.942  0.619  1.0
  Ti  Ti3  1  0.004  0.004  0.982  1.0
  Ti  Ti4  1  0.663  0.663  0.696  1.0
  Ti  Ti5  1  0.278  0.278  0.934  1.0
[/CIF]
.