The crystal structure described by Mg6CeSb 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 Ce(1), and two equivalent Sb(1) atoms to form distorted MgCe2Mg8Sb2 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. In the second Mg site, Mg(2) 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 Ce(1), and two equivalent Sb(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms. Ce(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form distorted CeMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Sb(1)Ce2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms to form SbCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   6.310
_cell_length_c   6.741
_cell_angle_alpha   117.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.289
_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
  Ce  Ce0  1  0.500  0.174  0.347  1.0
  Mg  Mg1  1  0.500  0.669  0.842  1.0
  Mg  Mg2  1  0.500  0.173  0.842  1.0
  Mg  Mg3  1  1.000  0.825  0.148  1.0
  Mg  Mg4  1  1.000  0.323  0.148  1.0
  Mg  Mg5  1  1.000  0.338  0.676  1.0
  Mg  Mg6  1  1.000  0.832  0.663  1.0
  Sb  Sb7  1  0.500  0.667  0.334  1.0
[/CIF]
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The crystal structure described by Mg6CeSb 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 Ce(1), and two equivalent Sb(1) atoms to form distorted MgCe2Mg8Sb2 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. In the second Mg site, Mg(2) 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 Ce(1), and two equivalent Sb(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms. Ce(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form distorted CeMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Sb(1)Ce2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms to form SbCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Ce2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Ce2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ce2Mg8Sb2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   6.310
_cell_length_c   6.741
_cell_angle_alpha   117.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.289
_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
  Ce  Ce0  1  0.500  0.174  0.347  1.0
  Mg  Mg1  1  0.500  0.669  0.842  1.0
  Mg  Mg2  1  0.500  0.173  0.842  1.0
  Mg  Mg3  1  1.000  0.825  0.148  1.0
  Mg  Mg4  1  1.000  0.323  0.148  1.0
  Mg  Mg5  1  1.000  0.338  0.676  1.0
  Mg  Mg6  1  1.000  0.832  0.663  1.0
  Sb  Sb7  1  0.500  0.667  0.334  1.0
[/CIF]
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