The material described by MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with nine equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with five equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), and six equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(1), and three equivalent Ti(2) atoms to form distorted TiMg7Ti5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with nine equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with five equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   4.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.177
_symmetry_Int_Tables_number   1
_cell_volume   118.192
_cell_formula_units_Z   3
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  0.995  0.332  0.000  1.0
  Mg  Mg1  1  0.332  0.995  0.000  1.0
  Mg  Mg2  1  0.339  0.339  0.500  1.0
  Ti  Ti3  1  0.674  0.674  0.000  1.0
  Ti  Ti4  1  0.987  0.672  0.500  1.0
  Ti  Ti5  1  0.672  0.987  0.500  1.0
[/CIF]
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The material described by MgTi is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), three equivalent Ti(1), and four equivalent Ti(2) atoms to form MgMg5Ti7 cuboctahedra that share corners with nine equivalent Mg(1)Mg5Ti7 cuboctahedra, corners with nine equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with three equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with five equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), and six equivalent Ti(2) atoms to form MgMg4Ti8 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with two equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with six equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Ti(2) atoms to form TiMg8Ti4 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(2)Mg4Ti8 cuboctahedra, edges with six equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with eight equivalent Ti(2)Mg7Ti5 cuboctahedra, faces with two equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with four equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with six equivalent Mg(1)Mg5Ti7 cuboctahedra, and faces with eight equivalent Ti(2)Mg7Ti5 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Ti(1), and three equivalent Ti(2) atoms to form distorted TiMg7Ti5 cuboctahedra that share corners with nine equivalent Mg(2)Mg4Ti8 cuboctahedra, corners with nine equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with four equivalent Ti(1)Mg8Ti4 cuboctahedra, edges with six equivalent Ti(2)Mg7Ti5 cuboctahedra, edges with eight equivalent Mg(1)Mg5Ti7 cuboctahedra, faces with three equivalent Mg(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(1)Mg8Ti4 cuboctahedra, faces with five equivalent Ti(2)Mg7Ti5 cuboctahedra, and faces with eight equivalent Mg(1)Mg5Ti7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   4.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.177
_symmetry_Int_Tables_number   1
_cell_volume   118.192
_cell_formula_units_Z   3
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  0.995  0.332  0.000  1.0
  Mg  Mg1  1  0.332  0.995  0.000  1.0
  Mg  Mg2  1  0.339  0.339  0.500  1.0
  Ti  Ti3  1  0.674  0.674  0.000  1.0
  Ti  Ti4  1  0.987  0.672  0.500  1.0
  Ti  Ti5  1  0.672  0.987  0.500  1.0
[/CIF]
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