The crystal structure described by MgTi is beta-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1), three equivalent Ti(1), and three equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(3)Mg9Ti3 cuboctahedra,  a faceface with one Ti(2)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(3), six equivalent Mg(2), and three equivalent Ti(2) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Ti(1)Mg3Ti9 cuboctahedra,  a faceface with one Ti(3)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the third Mg site, Mg(3) is bonded to three equivalent Mg(2), six equivalent Mg(3), and three equivalent Ti(3) atoms to form distorted MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(1)Mg6Ti6 cuboctahedra,  a faceface with one Ti(2)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), three equivalent Ti(2), and six equivalent Ti(1) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Mg(2)Mg9Ti3 cuboctahedra,  a faceface with one Ti(3)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), three equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Mg(1)Mg6Ti6 cuboctahedra,  a faceface with one Mg(3)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the third Ti site, Ti(3) is bonded to three equivalent Mg(1), three equivalent Mg(3), and six equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(2)Mg9Ti3 cuboctahedra,  a faceface with one Ti(1)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.985
_cell_length_b   2.985
_cell_length_c   15.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.894
_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  0.000  0.000  0.994  1.0
  Mg  Mg1  1  0.667  0.333  0.509  1.0
  Mg  Mg2  1  0.000  0.000  0.332  1.0
  Ti  Ti3  1  0.667  0.333  0.821  1.0
  Ti  Ti4  1  0.000  0.000  0.678  1.0
  Ti  Ti5  1  0.667  0.333  0.165  1.0
[/CIF]
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The crystal structure described by MgTi is beta-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1), three equivalent Ti(1), and three equivalent Ti(3) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(3)Mg9Ti3 cuboctahedra,  a faceface with one Ti(2)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(3), six equivalent Mg(2), and three equivalent Ti(2) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Ti(1)Mg3Ti9 cuboctahedra,  a faceface with one Ti(3)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the third Mg site, Mg(3) is bonded to three equivalent Mg(2), six equivalent Mg(3), and three equivalent Ti(3) atoms to form distorted MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(1)Mg6Ti6 cuboctahedra,  a faceface with one Ti(2)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), three equivalent Ti(2), and six equivalent Ti(1) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Mg(2)Mg9Ti3 cuboctahedra,  a faceface with one Ti(3)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), three equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with six equivalent Mg(3)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra,  a faceface with one Mg(1)Mg6Ti6 cuboctahedra,  a faceface with one Mg(3)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra, and faces with six equivalent Ti(2)Mg3Ti9 cuboctahedra. In the third Ti site, Ti(3) is bonded to three equivalent Mg(1), three equivalent Mg(3), and six equivalent Ti(3) atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent Mg(2)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(3)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Mg(3)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(3)Mg6Ti6 cuboctahedra,  a faceface with one Mg(2)Mg9Ti3 cuboctahedra,  a faceface with one Ti(1)Mg3Ti9 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(3)Mg9Ti3 cuboctahedra, and faces with six equivalent Ti(3)Mg6Ti6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.985
_cell_length_b   2.985
_cell_length_c   15.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   116.894
_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  0.000  0.000  0.994  1.0
  Mg  Mg1  1  0.667  0.333  0.509  1.0
  Mg  Mg2  1  0.000  0.000  0.332  1.0
  Ti  Ti3  1  0.667  0.333  0.821  1.0
  Ti  Ti4  1  0.000  0.000  0.678  1.0
  Ti  Ti5  1  0.667  0.333  0.165  1.0
[/CIF]
.