The material structure described by Mg6CdSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Cd(1), and two equivalent Sb(1) atoms. 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 Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10Cd2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Cd(1), and two equivalent Sb(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), and two equivalent Sb(1) atoms. Cd(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted CdMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, and faces with two equivalent Sb(1)Mg10Cd2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted SbMg10Cd2 cuboctahedra that share corners with six equivalent Sb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cd2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   6.203
_cell_length_c   6.348
_cell_angle_alpha   119.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.116
_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  0.000  0.853  0.707  1.0
  Mg  Mg1  1  1.000  0.342  0.177  1.0
  Mg  Mg2  1  0.000  0.835  0.177  1.0
  Mg  Mg3  1  0.000  0.332  0.664  1.0
  Mg  Mg4  1  0.500  0.157  0.819  1.0
  Mg  Mg5  1  0.500  0.662  0.819  1.0
  Mg  Mg6  1  0.500  0.166  0.333  1.0
  Sb  Sb7  1  0.500  0.651  0.303  1.0
[/CIF]
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The material structure described by Mg6CdSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Cd(1), and two equivalent Sb(1) atoms. 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 Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with two equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10Cd2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Cd(1), and two equivalent Sb(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), and two equivalent Sb(1) atoms. Cd(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted CdMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cd2 cuboctahedra, edges with four equivalent Sb(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, and faces with two equivalent Sb(1)Mg10Cd2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted SbMg10Cd2 cuboctahedra that share corners with six equivalent Sb(1)Mg10Cd2 cuboctahedra, edges with four equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Cd(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cd2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   6.203
_cell_length_c   6.348
_cell_angle_alpha   119.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.116
_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  0.000  0.853  0.707  1.0
  Mg  Mg1  1  1.000  0.342  0.177  1.0
  Mg  Mg2  1  0.000  0.835  0.177  1.0
  Mg  Mg3  1  0.000  0.332  0.664  1.0
  Mg  Mg4  1  0.500  0.157  0.819  1.0
  Mg  Mg5  1  0.500  0.662  0.819  1.0
  Mg  Mg6  1  0.500  0.166  0.333  1.0
  Sb  Sb7  1  0.500  0.651  0.303  1.0
[/CIF]
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