The crystal structure described by MgTi5 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra; edges with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with two Ti(2,2)Ti12 cuboctahedra; faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra; and faces with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), three equivalent Ti(2), and six equivalent Ti(1) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Ti(3)Ti12 cuboctahedra, corners with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Ti12 cuboctahedra,  a faceface with one Ti(3)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(2)Ti12 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Ti(1), three equivalent Ti(3), and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(2)Ti12 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra;  a faceface with one Mg(1)Mg6Ti6 cuboctahedra; faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with seven Ti(2,2)Ti12 cuboctahedra. In the third Ti site, Ti(3) is bonded to six Ti(2,2) and six equivalent Ti(3) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(3)Ti12 cuboctahedra; corners with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra; edges with twelve Ti(2,2)Ti12 cuboctahedra; faces with two equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with twelve Ti(2,2)Ti12 cuboctahedra. In the fourth Ti site, Ti(2) is bonded to three equivalent Ti(1), three equivalent Ti(3), and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(2)Ti12 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra;  a faceface with one Mg(1)Mg6Ti6 cuboctahedra; faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with seven Ti(2,2)Ti12 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.959
_cell_length_b   2.959
_cell_length_c   14.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.591
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.333  0.667  0.821  1.0
  Ti  Ti2  1  0.000  0.000  0.664  1.0
  Ti  Ti3  1  0.333  0.667  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.336  1.0
  Ti  Ti5  1  0.333  0.667  0.179  1.0
[/CIF]
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The crystal structure described by MgTi5 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Ti(1) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra; edges with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with two Ti(2,2)Ti12 cuboctahedra; faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra; and faces with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent Mg(1), three equivalent Ti(2), and six equivalent Ti(1) atoms to form TiMg3Ti9 cuboctahedra that share corners with six equivalent Ti(3)Ti12 cuboctahedra, corners with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(2)Ti12 cuboctahedra,  a faceface with one Ti(3)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(2)Ti12 cuboctahedra, and faces with seven equivalent Ti(1)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Ti(1), three equivalent Ti(3), and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(2)Ti12 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra;  a faceface with one Mg(1)Mg6Ti6 cuboctahedra; faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with seven Ti(2,2)Ti12 cuboctahedra. In the third Ti site, Ti(3) is bonded to six Ti(2,2) and six equivalent Ti(3) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(3)Ti12 cuboctahedra; corners with twelve equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra; edges with twelve Ti(2,2)Ti12 cuboctahedra; faces with two equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with twelve Ti(2,2)Ti12 cuboctahedra. In the fourth Ti site, Ti(2) is bonded to three equivalent Ti(1), three equivalent Ti(3), and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra; corners with twelve Ti(2,2)Ti12 cuboctahedra; edges with six equivalent Ti(1)Mg3Ti9 cuboctahedra; edges with six equivalent Ti(2)Ti12 cuboctahedra; edges with six equivalent Ti(3)Ti12 cuboctahedra;  a faceface with one Mg(1)Mg6Ti6 cuboctahedra; faces with six equivalent Ti(1)Mg3Ti9 cuboctahedra; faces with six equivalent Ti(3)Ti12 cuboctahedra; and faces with seven Ti(2,2)Ti12 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.959
_cell_length_b   2.959
_cell_length_c   14.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.591
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.333  0.667  0.821  1.0
  Ti  Ti2  1  0.000  0.000  0.664  1.0
  Ti  Ti3  1  0.333  0.667  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.336  1.0
  Ti  Ti5  1  0.333  0.667  0.179  1.0
[/CIF]
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