The crystal structure described by Mg6MoCr 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 Mo(1), and two equivalent Cr(1) atoms to form distorted MgMg8Cr2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with four equivalent Mo(1)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cr2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cr2Mo2 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 Cr(1) atoms to form distorted MgMg10Cr2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg10Cr2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cr(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form distorted MoMg10Cr2 cuboctahedra that share corners with six equivalent Mo(1)Mg10Cr2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra. Cr(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Mg6CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   5.969
_cell_length_c   6.267
_cell_angle_alpha   118.437
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.052
_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
  Cr  Cr0  1  0.000  0.804  0.608  1.0
  Mg  Mg1  1  1.000  0.340  0.159  1.0
  Mg  Mg2  1  1.000  0.819  0.159  1.0
  Mg  Mg3  1  0.000  0.329  0.657  1.0
  Mg  Mg4  1  0.500  0.166  0.845  1.0
  Mg  Mg5  1  0.500  0.679  0.845  1.0
  Mg  Mg6  1  0.500  0.171  0.341  1.0
  Mo  Mo7  1  0.500  0.693  0.386  1.0
[/CIF]
.
The crystal structure described by Mg6MoCr 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 Mo(1), and two equivalent Cr(1) atoms to form distorted MgMg8Cr2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with four equivalent Mo(1)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cr2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cr2Mo2 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 Cr(1) atoms to form distorted MgMg10Cr2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg10Cr2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cr(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cr(1) atoms to form distorted MoMg10Cr2 cuboctahedra that share corners with six equivalent Mo(1)Mg10Cr2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cr2 cuboctahedra, faces with four equivalent Mg(1)Mg8Cr2Mo2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra. Cr(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Mg6CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   5.969
_cell_length_c   6.267
_cell_angle_alpha   118.437
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.052
_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
  Cr  Cr0  1  0.000  0.804  0.608  1.0
  Mg  Mg1  1  1.000  0.340  0.159  1.0
  Mg  Mg2  1  1.000  0.819  0.159  1.0
  Mg  Mg3  1  0.000  0.329  0.657  1.0
  Mg  Mg4  1  0.500  0.166  0.845  1.0
  Mg  Mg5  1  0.500  0.679  0.845  1.0
  Mg  Mg6  1  0.500  0.171  0.341  1.0
  Mo  Mo7  1  0.500  0.693  0.386  1.0
[/CIF]
.