The structure described by Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(3); six Mg(2,2); and four equivalent Ti(1) atoms to form MgMg8Ti4 cuboctahedra that share corners with eight equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with ten equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with four Mg(2,2)Mg8Ti4 cuboctahedra; edges with four equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with six equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with two equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with six Mg(2,2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(3), three equivalent Mg(1), three equivalent Mg(2), and four equivalent Ti(1) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with four equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with five equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with eight Mg(2,2)Mg8Ti4 cuboctahedra; faces with three equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with five equivalent Mg(2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), four equivalent Mg(2), and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with eight equivalent Mg(2)Mg8Ti4 cuboctahedra; corners with ten equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with four equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with four Mg(2,2)Mg8Ti4 cuboctahedra; edges with four equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with six equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with four equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with six equivalent Ti(1)Mg9Ti3 cuboctahedra; and faces with eight Mg(2,2)Mg8Ti4 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(3), three equivalent Mg(1), three equivalent Mg(2), and four equivalent Ti(1) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with four equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with five equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with eight Mg(2,2)Mg8Ti4 cuboctahedra; faces with three equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with five Mg(2,2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. Ti(1) is bonded to two equivalent Mg(1), three equivalent Mg(3), four equivalent Mg(2), and three equivalent Ti(1) atoms to form TiMg9Ti3 cuboctahedra that share corners with four equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with four equivalent Mg(2)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with five equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six Mg(2,2)Mg8Ti4 cuboctahedra; edges with eight equivalent Ti(1)Mg9Ti3 cuboctahedra; faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with four equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with five equivalent Ti(1)Mg9Ti3 cuboctahedra; and faces with eight Mg(2,2)Mg8Ti4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.970
_cell_length_b   5.465
_cell_length_c   9.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.325
_cell_formula_units_Z   4
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  0.411  0.000  1.0
  Mg  Mg1  1  0.000  0.410  0.328  1.0
  Mg  Mg2  1  0.000  0.926  0.500  1.0
  Mg  Mg3  1  0.000  0.410  0.672  1.0
  Mg  Mg4  1  0.500  0.074  0.000  1.0
  Mg  Mg5  1  0.500  0.590  0.172  1.0
  Mg  Mg6  1  0.500  0.589  0.500  1.0
  Mg  Mg7  1  0.500  0.590  0.828  1.0
  Ti  Ti8  1  0.000  0.924  0.168  1.0
  Ti  Ti9  1  0.000  0.924  0.832  1.0
  Ti  Ti10  1  0.500  0.076  0.332  1.0
  Ti  Ti11  1  0.500  0.076  0.668  1.0
[/CIF]
.
The structure described by Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Pmmn space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(3); six Mg(2,2); and four equivalent Ti(1) atoms to form MgMg8Ti4 cuboctahedra that share corners with eight equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with ten equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with four equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with four Mg(2,2)Mg8Ti4 cuboctahedra; edges with four equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with six equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with two equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with six Mg(2,2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(3), three equivalent Mg(1), three equivalent Mg(2), and four equivalent Ti(1) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with four equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with five equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with eight Mg(2,2)Mg8Ti4 cuboctahedra; faces with three equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with five equivalent Mg(2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), four equivalent Mg(2), and six equivalent Ti(1) atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with eight equivalent Mg(2)Mg8Ti4 cuboctahedra; corners with ten equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with four equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with four Mg(2,2)Mg8Ti4 cuboctahedra; edges with four equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with six equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with two equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with four equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with six equivalent Ti(1)Mg9Ti3 cuboctahedra; and faces with eight Mg(2,2)Mg8Ti4 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(3), three equivalent Mg(1), three equivalent Mg(2), and four equivalent Ti(1) atoms to form distorted MgMg8Ti4 cuboctahedra that share corners with four equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with four equivalent Ti(1)Mg9Ti3 cuboctahedra; corners with five equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(2)Mg8Ti4 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with eight Mg(2,2)Mg8Ti4 cuboctahedra; faces with three equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with four equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with five Mg(2,2)Mg8Ti4 cuboctahedra; and faces with eight equivalent Ti(1)Mg9Ti3 cuboctahedra. Ti(1) is bonded to two equivalent Mg(1), three equivalent Mg(3), four equivalent Mg(2), and three equivalent Ti(1) atoms to form TiMg9Ti3 cuboctahedra that share corners with four equivalent Mg(1)Mg8Ti4 cuboctahedra; corners with four equivalent Mg(2)Mg8Ti4 cuboctahedra; corners with five equivalent Mg(3)Mg6Ti6 cuboctahedra; corners with five equivalent Ti(1)Mg9Ti3 cuboctahedra; edges with two equivalent Mg(3)Mg6Ti6 cuboctahedra; edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra; edges with six Mg(2,2)Mg8Ti4 cuboctahedra; edges with eight equivalent Ti(1)Mg9Ti3 cuboctahedra; faces with three equivalent Mg(3)Mg6Ti6 cuboctahedra; faces with four equivalent Mg(1)Mg8Ti4 cuboctahedra; faces with five equivalent Ti(1)Mg9Ti3 cuboctahedra; and faces with eight Mg(2,2)Mg8Ti4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.970
_cell_length_b   5.465
_cell_length_c   9.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.325
_cell_formula_units_Z   4
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  0.411  0.000  1.0
  Mg  Mg1  1  0.000  0.410  0.328  1.0
  Mg  Mg2  1  0.000  0.926  0.500  1.0
  Mg  Mg3  1  0.000  0.410  0.672  1.0
  Mg  Mg4  1  0.500  0.074  0.000  1.0
  Mg  Mg5  1  0.500  0.590  0.172  1.0
  Mg  Mg6  1  0.500  0.589  0.500  1.0
  Mg  Mg7  1  0.500  0.590  0.828  1.0
  Ti  Ti8  1  0.000  0.924  0.168  1.0
  Ti  Ti9  1  0.000  0.924  0.832  1.0
  Ti  Ti10  1  0.500  0.076  0.332  1.0
  Ti  Ti11  1  0.500  0.076  0.668  1.0
[/CIF]
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