The material structure described by Mg6TiMo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ti(1), and two equivalent Mo(1) atoms to form distorted MgMg8Ti2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Mo(1) atoms. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Mo(1) atoms. Mo(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Mg6TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.775
_cell_length_b   6.019
_cell_length_c   6.306
_cell_angle_alpha   118.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.252
_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  0.334  0.151  1.0
  Mg  Mg1  1  0.000  0.816  0.151  1.0
  Mg  Mg2  1  0.000  0.329  0.659  1.0
  Mg  Mg3  1  0.500  0.167  0.848  1.0
  Mg  Mg4  1  0.500  0.681  0.848  1.0
  Mg  Mg5  1  0.500  0.172  0.345  1.0
  Mo  Mo6  1  0.500  0.699  0.399  1.0
  Ti  Ti7  1  0.000  0.800  0.600  1.0
[/CIF]
.
The material structure described by Mg6TiMo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ti(1), and two equivalent Mo(1) atoms to form distorted MgMg8Ti2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Ti2Mo2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mo(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Mo(1) atoms. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Mo(1) atoms. Mo(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Mg6TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.775
_cell_length_b   6.019
_cell_length_c   6.306
_cell_angle_alpha   118.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.252
_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  0.334  0.151  1.0
  Mg  Mg1  1  0.000  0.816  0.151  1.0
  Mg  Mg2  1  0.000  0.329  0.659  1.0
  Mg  Mg3  1  0.500  0.167  0.848  1.0
  Mg  Mg4  1  0.500  0.681  0.848  1.0
  Mg  Mg5  1  0.500  0.172  0.345  1.0
  Mo  Mo6  1  0.500  0.699  0.399  1.0
  Ti  Ti7  1  0.000  0.800  0.600  1.0
[/CIF]
.