The structure described by MgTi crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms to form distorted MgMg4Ti8 cuboctahedra that share corners with two equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with two equivalent Mg(3)Mg7Ti5 cuboctahedra, corners with four equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with seven equivalent Mg(2)Mg7Ti5 cuboctahedra,  a faceface with one Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg7Ti5 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(1)Mg4Ti8 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), four equivalent Mg(3), one Ti(1), one Ti(3), and three equivalent Ti(2) atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with two equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with two equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with seven equivalent Mg(1)Mg4Ti8 cuboctahedra,  a faceface with one Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with four equivalent Mg(3)Mg7Ti5 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), one Ti(1), one Ti(2), and three equivalent Ti(3) atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with two equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with two equivalent Mg(3)Mg7Ti5 cuboctahedra, corners with four equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with seven equivalent Ti(1)Mg4Ti8 cuboctahedra,  a faceface with one Ti(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with four equivalent Mg(3)Mg7Ti5 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms to form TiMg4Ti8 cuboctahedra that share corners with two equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with two equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with seven equivalent Mg(3)Mg7Ti5 cuboctahedra,  a faceface with one Mg(3)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, and faces with six equivalent Mg(1)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to one Mg(3), three equivalent Mg(1), three equivalent Mg(2), one Ti(3), and three equivalent Ti(1) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), one Ti(2), and three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.801
_cell_length_b   6.224
_cell_length_c   8.093
_cell_angle_alpha   79.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.423
_cell_formula_units_Z   6
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  0.250  0.472  0.613  1.0
  Mg  Mg1  1  0.750  0.528  0.387  1.0
  Mg  Mg2  1  0.750  0.865  0.062  1.0
  Mg  Mg3  1  0.750  0.357  0.057  1.0
  Mg  Mg4  1  0.250  0.643  0.943  1.0
  Mg  Mg5  1  0.250  0.135  0.938  1.0
  Ti  Ti6  1  0.250  0.975  0.599  1.0
  Ti  Ti7  1  0.750  0.025  0.401  1.0
  Ti  Ti8  1  0.250  0.828  0.303  1.0
  Ti  Ti9  1  0.250  0.268  0.298  1.0
  Ti  Ti10  1  0.750  0.732  0.702  1.0
  Ti  Ti11  1  0.750  0.172  0.697  1.0
[/CIF]
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The structure described by MgTi crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms to form distorted MgMg4Ti8 cuboctahedra that share corners with two equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with two equivalent Mg(3)Mg7Ti5 cuboctahedra, corners with four equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with seven equivalent Mg(2)Mg7Ti5 cuboctahedra,  a faceface with one Mg(2)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(3)Mg7Ti5 cuboctahedra, faces with four equivalent Mg(1)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(1)Mg4Ti8 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), four equivalent Mg(3), one Ti(1), one Ti(3), and three equivalent Ti(2) atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with two equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with two equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with seven equivalent Mg(1)Mg4Ti8 cuboctahedra,  a faceface with one Mg(1)Mg4Ti8 cuboctahedra, faces with three equivalent Ti(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with four equivalent Mg(3)Mg7Ti5 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(3), four equivalent Mg(2), one Ti(1), one Ti(2), and three equivalent Ti(3) atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with two equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with two equivalent Mg(3)Mg7Ti5 cuboctahedra, corners with four equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with four equivalent Ti(1)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with two equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(1)Mg4Ti8 cuboctahedra, edges with seven equivalent Ti(1)Mg4Ti8 cuboctahedra,  a faceface with one Ti(1)Mg4Ti8 cuboctahedra, faces with three equivalent Mg(1)Mg4Ti8 cuboctahedra, faces with four equivalent Mg(2)Mg7Ti5 cuboctahedra, and faces with four equivalent Mg(3)Mg7Ti5 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms to form TiMg4Ti8 cuboctahedra that share corners with two equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with two equivalent Ti(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(1)Mg4Ti8 cuboctahedra, corners with four equivalent Mg(3)Mg7Ti5 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with seven equivalent Mg(3)Mg7Ti5 cuboctahedra,  a faceface with one Mg(3)Mg7Ti5 cuboctahedra, faces with three equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with four equivalent Ti(1)Mg4Ti8 cuboctahedra, and faces with six equivalent Mg(1)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to one Mg(3), three equivalent Mg(1), three equivalent Mg(2), one Ti(3), and three equivalent Ti(1) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to one Mg(2), three equivalent Mg(1), three equivalent Mg(3), one Ti(2), and three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.801
_cell_length_b   6.224
_cell_length_c   8.093
_cell_angle_alpha   79.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.423
_cell_formula_units_Z   6
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  0.250  0.472  0.613  1.0
  Mg  Mg1  1  0.750  0.528  0.387  1.0
  Mg  Mg2  1  0.750  0.865  0.062  1.0
  Mg  Mg3  1  0.750  0.357  0.057  1.0
  Mg  Mg4  1  0.250  0.643  0.943  1.0
  Mg  Mg5  1  0.250  0.135  0.938  1.0
  Ti  Ti6  1  0.250  0.975  0.599  1.0
  Ti  Ti7  1  0.750  0.025  0.401  1.0
  Ti  Ti8  1  0.250  0.828  0.303  1.0
  Ti  Ti9  1  0.250  0.268  0.298  1.0
  Ti  Ti10  1  0.750  0.732  0.702  1.0
  Ti  Ti11  1  0.750  0.172  0.697  1.0
[/CIF]
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