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 in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(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 Ce(1) atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, and faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Sb(1) atoms. 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 Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, and faces with six equivalent Ce(1)Mg10Sb2 cuboctahedra. Ce(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 CeMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.996
_symmetry_Int_Tables_number   1
_cell_volume   198.435
_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  0.328  0.672  0.500  1.0
  Mg  Mg1  1  0.819  0.664  0.500  1.0
  Mg  Mg2  1  0.336  0.181  0.500  1.0
  Mg  Mg3  1  0.838  0.162  0.500  1.0
  Mg  Mg4  1  0.694  0.845  0.000  1.0
  Mg  Mg5  1  0.155  0.306  0.000  1.0
  Mg  Mg6  1  0.668  0.332  0.000  1.0
  Sb  Sb7  1  0.161  0.839  0.000  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 in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(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 Ce(1) atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, and faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ce(1), and two equivalent Sb(1) atoms. 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 Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, and faces with six equivalent Ce(1)Mg10Sb2 cuboctahedra. Ce(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 CeMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Mg(2)Ce2Mg10 cuboctahedra, faces with two equivalent Ce(1)Mg10Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.996
_symmetry_Int_Tables_number   1
_cell_volume   198.435
_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  0.328  0.672  0.500  1.0
  Mg  Mg1  1  0.819  0.664  0.500  1.0
  Mg  Mg2  1  0.336  0.181  0.500  1.0
  Mg  Mg3  1  0.838  0.162  0.500  1.0
  Mg  Mg4  1  0.694  0.845  0.000  1.0
  Mg  Mg5  1  0.155  0.306  0.000  1.0
  Mg  Mg6  1  0.668  0.332  0.000  1.0
  Sb  Sb7  1  0.161  0.839  0.000  1.0
[/CIF]
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