The material structure described by Mg3Ti is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Ti(1) atoms to form MgMg8Ti4 cuboctahedra that share corners with four equivalent Ti(1)Mg10Ti2 cuboctahedra, corners with fourteen equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Mg(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Ti3 cuboctahedra. Ti(1) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Ti(1) atoms to form TiMg10Ti2 cuboctahedra that share corners with four equivalent Mg(1)Mg8Ti4 cuboctahedra, corners with fourteen equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(1)Mg8Ti4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   5.969
_cell_angle_alpha   150.199
_cell_angle_beta   125.968
_cell_angle_gamma   62.929
_symmetry_Int_Tables_number   1
_cell_volume   84.741
_cell_formula_units_Z   1
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  0.167  0.500  0.667  1.0
  Mg  Mg1  1  0.250  0.250  1.000  1.0
  Mg  Mg2  1  0.749  0.750  1.000  1.0
  Ti  Ti3  1  0.667  0.000  0.667  1.0
[/CIF]
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The material structure described by Mg3Ti is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Ti(1) atoms to form MgMg8Ti4 cuboctahedra that share corners with four equivalent Ti(1)Mg10Ti2 cuboctahedra, corners with fourteen equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with two equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with four equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Mg(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Ti(1) atoms to form MgMg9Ti3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg9Ti3 cuboctahedra, edges with six equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Ti3 cuboctahedra. Ti(1) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Ti(1) atoms to form TiMg10Ti2 cuboctahedra that share corners with four equivalent Mg(1)Mg8Ti4 cuboctahedra, corners with fourteen equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)Mg8Ti4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra, faces with two equivalent Ti(1)Mg10Ti2 cuboctahedra, faces with six equivalent Mg(1)Mg8Ti4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Ti3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   5.969
_cell_angle_alpha   150.199
_cell_angle_beta   125.968
_cell_angle_gamma   62.929
_symmetry_Int_Tables_number   1
_cell_volume   84.741
_cell_formula_units_Z   1
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  0.167  0.500  0.667  1.0
  Mg  Mg1  1  0.250  0.250  1.000  1.0
  Mg  Mg2  1  0.749  0.750  1.000  1.0
  Ti  Ti3  1  0.667  0.000  0.667  1.0
[/CIF]
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