The crystal structure described by MgTi3 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(2) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Ti(1)Ti12 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Ti(1) and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(1)Ti12 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Ti12 cuboctahedra, edges with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Ti12 cuboctahedra, and faces with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(1), three equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(1)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Ti12 cuboctahedra, and faces with eight equivalent Ti(2)Mg3Ti9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   2.958
_cell_length_c   9.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   73.697
_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  0.667  0.333  0.500  1.0
  Ti  Ti1  1  0.667  0.333  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.767  1.0
  Ti  Ti3  1  0.000  0.000  0.233  1.0
[/CIF]
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The crystal structure described by MgTi3 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(2) atoms to form MgMg6Ti6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Ti6 cuboctahedra, corners with twelve equivalent Ti(1)Ti12 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra, faces with two equivalent Ti(1)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, and faces with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Ti(1) and six equivalent Ti(2) atoms to form TiTi12 cuboctahedra that share corners with six equivalent Ti(1)Ti12 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(1)Ti12 cuboctahedra, edges with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra, faces with two equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Ti12 cuboctahedra, and faces with twelve equivalent Ti(2)Mg3Ti9 cuboctahedra. In the second Ti site, Ti(2) is bonded to three equivalent Mg(1), three equivalent Ti(1), and six equivalent Ti(2) atoms to form TiMg3Ti9 cuboctahedra that share corners with eighteen equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Mg(1)Mg6Ti6 cuboctahedra, edges with six equivalent Ti(2)Mg3Ti9 cuboctahedra, edges with six equivalent Ti(1)Ti12 cuboctahedra, faces with six equivalent Mg(1)Mg6Ti6 cuboctahedra, faces with six equivalent Ti(1)Ti12 cuboctahedra, and faces with eight equivalent Ti(2)Mg3Ti9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   2.958
_cell_length_c   9.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   73.697
_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  0.667  0.333  0.500  1.0
  Ti  Ti1  1  0.667  0.333  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.767  1.0
  Ti  Ti3  1  0.000  0.000  0.233  1.0
[/CIF]
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