The material structure described by Mg2Ti is beta-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with seven equivalent Ti(1)Mg8Ti4 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with five equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Ti(1)Mg8Ti4 cuboctahedra. Ti(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with five equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Mg(2)Mg7Ti5 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.960
_cell_length_b   5.960
_cell_length_c   7.336
_cell_angle_alpha   77.499
_cell_angle_beta   77.499
_cell_angle_gamma   28.758
_symmetry_Int_Tables_number   1
_cell_volume   122.206
_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  0.142  0.142  0.977  1.0
  Mg  Mg1  1  0.529  0.529  0.688  1.0
  Mg  Mg2  1  0.471  0.471  0.312  1.0
  Mg  Mg3  1  0.858  0.858  0.023  1.0
  Ti  Ti4  1  0.799  0.799  0.619  1.0
  Ti  Ti5  1  0.201  0.201  0.381  1.0
[/CIF]
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The material structure described by Mg2Ti is beta-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg9Ti3 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with seven equivalent Ti(1)Mg8Ti4 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Ti(1) atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with five equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with nine equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with six equivalent Mg(2)Mg7Ti5 cuboctahedra, faces with six equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Ti(1)Mg8Ti4 cuboctahedra. Ti(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Ti5 cuboctahedra, corners with six equivalent Mg(1)Mg9Ti3 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with five equivalent Mg(2)Mg7Ti5 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, faces with five equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with seven equivalent Mg(1)Mg9Ti3 cuboctahedra, and faces with eight equivalent Mg(2)Mg7Ti5 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.960
_cell_length_b   5.960
_cell_length_c   7.336
_cell_angle_alpha   77.499
_cell_angle_beta   77.499
_cell_angle_gamma   28.758
_symmetry_Int_Tables_number   1
_cell_volume   122.206
_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  0.142  0.142  0.977  1.0
  Mg  Mg1  1  0.529  0.529  0.688  1.0
  Mg  Mg2  1  0.471  0.471  0.312  1.0
  Mg  Mg3  1  0.858  0.858  0.023  1.0
  Ti  Ti4  1  0.799  0.799  0.619  1.0
  Ti  Ti5  1  0.201  0.201  0.381  1.0
[/CIF]
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