The compound described by MgTi5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(2) atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(1)Ti12 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(3)Mg2Ti10 cuboctahedra. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(1)Ti12 cuboctahedra, and faces with six equivalent Ti(4)Mg2Ti10 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(5) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(1)Ti12 cuboctahedra, edges with four equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(5)Mg2Ti10 cuboctahedra. In the third Ti site, Ti(3) is bonded to two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(4) atoms to form distorted TiMg2Ti10 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Ti12 cuboctahedra, edges with four equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(4)Mg2Ti10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Ti10 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(3) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(4)Mg2Ti10 cuboctahedra, and faces with six equivalent Ti(1)Ti12 cuboctahedra. In the fifth Ti site, Ti(5) is bonded to two equivalent Mg(1), two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(1) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(1)Ti12 cuboctahedra, edges with eight equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(1)Ti12 cuboctahedra, and faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.796
_cell_length_b   7.796
_cell_length_c   4.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.462
_symmetry_Int_Tables_number   1
_cell_volume   107.556
_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  0.776  0.224  0.500  1.0
  Ti  Ti1  1  0.000  1.000  0.000  1.0
  Ti  Ti2  1  0.338  0.662  0.000  1.0
  Ti  Ti3  1  0.662  0.338  0.000  1.0
  Ti  Ti4  1  0.108  0.892  0.500  1.0
  Ti  Ti5  1  0.449  0.551  0.500  1.0
[/CIF]
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The compound described by MgTi5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(2) atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with eight equivalent Ti(1)Ti12 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(3)Mg2Ti10 cuboctahedra. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), and four equivalent Ti(5) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with four equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(1)Ti12 cuboctahedra, and faces with six equivalent Ti(4)Mg2Ti10 cuboctahedra. In the second Ti site, Ti(2) is bonded to four equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and two equivalent Ti(5) atoms to form distorted TiMg4Ti8 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(1)Ti12 cuboctahedra, edges with four equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(2)Mg4Ti8 cuboctahedra, and faces with six equivalent Ti(5)Mg2Ti10 cuboctahedra. In the third Ti site, Ti(3) is bonded to two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), and four equivalent Ti(4) atoms to form distorted TiMg2Ti10 cuboctahedra that share corners with six equivalent Ti(3)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(2)Mg4Ti8 cuboctahedra, corners with six equivalent Ti(1)Ti12 cuboctahedra, edges with three equivalent Ti(2)Mg4Ti8 cuboctahedra, edges with three equivalent Ti(1)Ti12 cuboctahedra, edges with four equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with four equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(4)Mg2Ti10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Ti10 cuboctahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(3) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(3)Mg2Ti10 cuboctahedra, edges with eight equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(2)Mg4Ti8 cuboctahedra, faces with four equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(4)Mg2Ti10 cuboctahedra, and faces with six equivalent Ti(1)Ti12 cuboctahedra. In the fifth Ti site, Ti(5) is bonded to two equivalent Mg(1), two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(1) atoms to form TiMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(4)Mg2Ti10 cuboctahedra, corners with six equivalent Ti(5)Mg2Ti10 cuboctahedra, edges with three equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with three equivalent Ti(4)Mg2Ti10 cuboctahedra, edges with four equivalent Ti(1)Ti12 cuboctahedra, edges with eight equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(3)Mg2Ti10 cuboctahedra, faces with two equivalent Ti(4)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(5)Mg2Ti10 cuboctahedra, faces with four equivalent Ti(1)Ti12 cuboctahedra, and faces with six equivalent Ti(2)Mg4Ti8 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.796
_cell_length_b   7.796
_cell_length_c   4.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.462
_symmetry_Int_Tables_number   1
_cell_volume   107.556
_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  0.776  0.224  0.500  1.0
  Ti  Ti1  1  0.000  1.000  0.000  1.0
  Ti  Ti2  1  0.338  0.662  0.000  1.0
  Ti  Ti3  1  0.662  0.338  0.000  1.0
  Ti  Ti4  1  0.108  0.892  0.500  1.0
  Ti  Ti5  1  0.449  0.551  0.500  1.0
[/CIF]
.