The material structure described by Mg6NbCd is beta Cu3Ti-derived structured and 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 Nb(1), and two equivalent Cd(1) atoms to form distorted MgMg8Nb2Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with four equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, and faces with eight equivalent Mg(3)Mg8Nb2Cd2 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 Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Cd(1)Mg10Nb2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Cd(1) atoms to form distorted MgMg8Nb2Cd2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with four equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Nb(1)Mg10Cd2 cuboctahedra. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form NbMg10Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. Cd(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form CdMg10Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   6.297
_cell_length_c   6.300
_cell_angle_alpha   119.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.885
_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
  Cd  Cd0  1  0.500  0.674  0.348  1.0
  Mg  Mg1  1  1.000  0.333  0.164  1.0
  Mg  Mg2  1  1.000  0.830  0.164  1.0
  Mg  Mg3  1  1.000  0.334  0.669  1.0
  Mg  Mg4  1  0.500  0.154  0.827  1.0
  Mg  Mg5  1  0.500  0.673  0.827  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  Nb  Nb7  1  1.000  0.834  0.667  1.0
[/CIF]
.
The material structure described by Mg6NbCd is beta Cu3Ti-derived structured and 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 Nb(1), and two equivalent Cd(1) atoms to form distorted MgMg8Nb2Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with four equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, and faces with eight equivalent Mg(3)Mg8Nb2Cd2 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 Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Cd(1)Mg10Nb2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Nb(1), and two equivalent Cd(1) atoms to form distorted MgMg8Nb2Cd2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with four equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Nb(1)Mg10Cd2 cuboctahedra. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form NbMg10Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10Cd2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Nb2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. Cd(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form CdMg10Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Nb2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, edges with four equivalent Nb(1)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Nb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Nb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Nb2Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg8Nb2Cd2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   6.297
_cell_length_c   6.300
_cell_angle_alpha   119.983
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.885
_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
  Cd  Cd0  1  0.500  0.674  0.348  1.0
  Mg  Mg1  1  1.000  0.333  0.164  1.0
  Mg  Mg2  1  1.000  0.830  0.164  1.0
  Mg  Mg3  1  1.000  0.334  0.669  1.0
  Mg  Mg4  1  0.500  0.154  0.827  1.0
  Mg  Mg5  1  0.500  0.673  0.827  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  Nb  Nb7  1  1.000  0.834  0.667  1.0
[/CIF]
.