The compound described by MgTi2 is beta-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent Mg(1) and ten equivalent Ti(1) atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with ten equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, and faces with sixteen equivalent Ti(1)Mg5Ti7 cuboctahedra. Ti(1) is bonded to five equivalent Mg(1) and seven equivalent Ti(1) atoms to form distorted TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with fourteen equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with eight equivalent Mg(1)Mg2Ti10 cuboctahedra, and faces with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.465
_cell_angle_alpha   63.813
_cell_angle_beta   63.813
_cell_angle_gamma   61.272
_symmetry_Int_Tables_number   1
_cell_volume   110.300
_cell_formula_units_Z   2
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  0.090  0.910  0.250  1.0
  Mg  Mg1  1  0.910  0.090  0.750  1.0
  Ti  Ti2  1  0.250  0.417  0.758  1.0
  Ti  Ti3  1  0.583  0.750  0.742  1.0
  Ti  Ti4  1  0.417  0.250  0.258  1.0
  Ti  Ti5  1  0.750  0.583  0.242  1.0
[/CIF]
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The compound described by MgTi2 is beta-derived structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent Mg(1) and ten equivalent Ti(1) atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with eight equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with ten equivalent Mg(1)Mg2Ti10 cuboctahedra, faces with four equivalent Mg(1)Mg2Ti10 cuboctahedra, and faces with sixteen equivalent Ti(1)Mg5Ti7 cuboctahedra. Ti(1) is bonded to five equivalent Mg(1) and seven equivalent Ti(1) atoms to form distorted TiMg5Ti7 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ti10 cuboctahedra, corners with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra, edges with four equivalent Mg(1)Mg2Ti10 cuboctahedra, edges with fourteen equivalent Ti(1)Mg5Ti7 cuboctahedra, faces with eight equivalent Mg(1)Mg2Ti10 cuboctahedra, and faces with twelve equivalent Ti(1)Mg5Ti7 cuboctahedra. is represented by the CIF card [CIF]
data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   5.465
_cell_angle_alpha   63.813
_cell_angle_beta   63.813
_cell_angle_gamma   61.272
_symmetry_Int_Tables_number   1
_cell_volume   110.300
_cell_formula_units_Z   2
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  0.090  0.910  0.250  1.0
  Mg  Mg1  1  0.910  0.090  0.750  1.0
  Ti  Ti2  1  0.250  0.417  0.758  1.0
  Ti  Ti3  1  0.583  0.750  0.742  1.0
  Ti  Ti4  1  0.417  0.250  0.258  1.0
  Ti  Ti5  1  0.750  0.583  0.242  1.0
[/CIF]
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