The material structure described by MgTi2 is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with seven equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), four equivalent Ti(1), and five equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), three equivalent Ti(2), and five equivalent Ti(1) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with eight equivalent Ti(1)Mg3Ti9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   7.436
_cell_angle_alpha   74.914
_cell_angle_beta   74.914
_cell_angle_gamma   29.939
_symmetry_Int_Tables_number   1
_cell_volume   112.649
_cell_formula_units_Z   2
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  0.635  0.635  0.478  1.0
  Mg  Mg1  1  0.365  0.365  0.522  1.0
  Ti  Ti2  1  0.307  0.307  0.129  1.0
  Ti  Ti3  1  0.037  0.037  0.164  1.0
  Ti  Ti4  1  0.963  0.963  0.836  1.0
  Ti  Ti5  1  0.693  0.693  0.871  1.0
[/CIF]
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The material structure described by MgTi2 is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to five equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with two equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with seven equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), four equivalent Ti(1), and five equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with five equivalent Ti(1)Mg3Ti9 cuboctahedra, faces with seven equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg4Ti8 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), three equivalent Ti(2), and five equivalent Ti(1) atoms to form TiMg4Ti8 cuboctahedra that share corners with six equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with six equivalent Ti(1)Mg3Ti9 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with five equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with eight equivalent Ti(1)Mg3Ti9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   7.436
_cell_angle_alpha   74.914
_cell_angle_beta   74.914
_cell_angle_gamma   29.939
_symmetry_Int_Tables_number   1
_cell_volume   112.649
_cell_formula_units_Z   2
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  0.635  0.635  0.478  1.0
  Mg  Mg1  1  0.365  0.365  0.522  1.0
  Ti  Ti2  1  0.307  0.307  0.129  1.0
  Ti  Ti3  1  0.037  0.037  0.164  1.0
  Ti  Ti4  1  0.963  0.963  0.836  1.0
  Ti  Ti5  1  0.693  0.693  0.871  1.0
[/CIF]
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