The structure described by Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with eleven equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with eight equivalent Mg(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(2)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), four equivalent Mg(1), and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg8Ti4 cuboctahedra, and faces with eight equivalent Mg(1)Mg10Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with eleven equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.423
_cell_length_b   8.423
_cell_length_c   4.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.375
_symmetry_Int_Tables_number   1
_cell_volume   122.818
_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  0.213  0.787  0.250  1.0
  Mg  Mg1  1  0.890  0.110  0.250  1.0
  Mg  Mg2  1  0.110  0.890  0.750  1.0
  Mg  Mg3  1  0.787  0.213  0.750  1.0
  Ti  Ti4  1  0.545  0.455  0.250  1.0
  Ti  Ti5  1  0.455  0.545  0.750  1.0
[/CIF]
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The structure described by Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with eleven equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with eight equivalent Mg(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(2)Mg6Ti6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(2), four equivalent Mg(1), and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with three equivalent Mg(1)Mg10Ti2 cuboctahedra, edges with seven equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with six equivalent Mg(2)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Mg8Ti4 cuboctahedra, and faces with eight equivalent Mg(1)Mg10Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Ti(1) atoms to form TiMg8Ti4 cuboctahedra that share corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg6Ti6 cuboctahedra, corners with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with seven equivalent Mg(2)Mg6Ti6 cuboctahedra, edges with eleven equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(2)Mg6Ti6 cuboctahedra, and faces with ten equivalent Ti(1)Mg8Ti4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.423
_cell_length_b   8.423
_cell_length_c   4.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.375
_symmetry_Int_Tables_number   1
_cell_volume   122.818
_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  0.213  0.787  0.250  1.0
  Mg  Mg1  1  0.890  0.110  0.250  1.0
  Mg  Mg2  1  0.110  0.890  0.750  1.0
  Mg  Mg3  1  0.787  0.213  0.750  1.0
  Ti  Ti4  1  0.545  0.455  0.250  1.0
  Ti  Ti5  1  0.455  0.545  0.750  1.0
[/CIF]
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