The material structure described by Mg23Ce6Sb crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(1), three equivalent Mg(3), and three equivalent Ce(1) atoms. In the second Mg site, Mg(3) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent Ce(1) atoms to form MgCe4Mg8 cuboctahedra that share corners with four equivalent Mg(3)Ce4Mg8 cuboctahedra, edges with two equivalent Sb(1)Ce6 octahedra, and faces with eight equivalent Mg(3)Ce4Mg8 cuboctahedra. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the fourth Mg site, Mg(1) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent Ce(1) atoms. Ce(1) is bonded in a distorted single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one Sb(1) atom. Sb(1) is bonded to six equivalent Ce(1) atoms to form SbCe6 octahedra that share edges with twelve equivalent Mg(3)Ce4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_Ce6Mg23Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.285
_cell_length_b   10.285
_cell_length_c   10.285
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   769.328
_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  0.784  0.784  0.216  1.0
  Ce  Ce1  1  0.216  0.784  0.216  1.0
  Ce  Ce2  1  0.784  0.216  0.216  1.0
  Ce  Ce3  1  0.216  0.216  0.784  1.0
  Ce  Ce4  1  0.784  0.216  0.784  1.0
  Ce  Ce5  1  0.216  0.784  0.784  1.0
  Mg  Mg6  1  0.829  0.829  0.514  1.0
  Mg  Mg7  1  0.829  0.514  0.829  1.0
  Mg  Mg8  1  0.514  0.829  0.829  1.0
  Mg  Mg9  1  0.829  0.829  0.829  1.0
  Mg  Mg10  1  0.171  0.171  0.486  1.0
  Mg  Mg11  1  0.171  0.486  0.171  1.0
  Mg  Mg12  1  0.486  0.171  0.171  1.0
  Mg  Mg13  1  0.171  0.171  0.171  1.0
  Mg  Mg14  1  0.621  0.621  0.136  1.0
  Mg  Mg15  1  0.621  0.136  0.621  1.0
  Mg  Mg16  1  0.136  0.621  0.621  1.0
  Mg  Mg17  1  0.621  0.621  0.621  1.0
  Mg  Mg18  1  0.379  0.379  0.864  1.0
  Mg  Mg19  1  0.379  0.864  0.379  1.0
  Mg  Mg20  1  0.864  0.379  0.379  1.0
  Mg  Mg21  1  0.379  0.379  0.379  1.0
  Mg  Mg22  1  0.000  0.000  0.500  1.0
  Mg  Mg23  1  0.500  0.000  0.500  1.0
  Mg  Mg24  1  0.000  0.500  0.500  1.0
  Mg  Mg25  1  0.500  0.500  0.000  1.0
  Mg  Mg26  1  0.000  0.500  0.000  1.0
  Mg  Mg27  1  0.500  0.000  0.000  1.0
  Mg  Mg28  1  0.500  0.500  0.500  1.0
  Sb  Sb29  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mg23Ce6Sb crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(1), three equivalent Mg(3), and three equivalent Ce(1) atoms. In the second Mg site, Mg(3) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent Ce(1) atoms to form MgCe4Mg8 cuboctahedra that share corners with four equivalent Mg(3)Ce4Mg8 cuboctahedra, edges with two equivalent Sb(1)Ce6 octahedra, and faces with eight equivalent Mg(3)Ce4Mg8 cuboctahedra. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the fourth Mg site, Mg(1) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent Ce(1) atoms. Ce(1) is bonded in a distorted single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one Sb(1) atom. Sb(1) is bonded to six equivalent Ce(1) atoms to form SbCe6 octahedra that share edges with twelve equivalent Mg(3)Ce4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_Ce6Mg23Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.285
_cell_length_b   10.285
_cell_length_c   10.285
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   769.328
_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  0.784  0.784  0.216  1.0
  Ce  Ce1  1  0.216  0.784  0.216  1.0
  Ce  Ce2  1  0.784  0.216  0.216  1.0
  Ce  Ce3  1  0.216  0.216  0.784  1.0
  Ce  Ce4  1  0.784  0.216  0.784  1.0
  Ce  Ce5  1  0.216  0.784  0.784  1.0
  Mg  Mg6  1  0.829  0.829  0.514  1.0
  Mg  Mg7  1  0.829  0.514  0.829  1.0
  Mg  Mg8  1  0.514  0.829  0.829  1.0
  Mg  Mg9  1  0.829  0.829  0.829  1.0
  Mg  Mg10  1  0.171  0.171  0.486  1.0
  Mg  Mg11  1  0.171  0.486  0.171  1.0
  Mg  Mg12  1  0.486  0.171  0.171  1.0
  Mg  Mg13  1  0.171  0.171  0.171  1.0
  Mg  Mg14  1  0.621  0.621  0.136  1.0
  Mg  Mg15  1  0.621  0.136  0.621  1.0
  Mg  Mg16  1  0.136  0.621  0.621  1.0
  Mg  Mg17  1  0.621  0.621  0.621  1.0
  Mg  Mg18  1  0.379  0.379  0.864  1.0
  Mg  Mg19  1  0.379  0.864  0.379  1.0
  Mg  Mg20  1  0.864  0.379  0.379  1.0
  Mg  Mg21  1  0.379  0.379  0.379  1.0
  Mg  Mg22  1  0.000  0.000  0.500  1.0
  Mg  Mg23  1  0.500  0.000  0.500  1.0
  Mg  Mg24  1  0.000  0.500  0.500  1.0
  Mg  Mg25  1  0.500  0.500  0.000  1.0
  Mg  Mg26  1  0.000  0.500  0.000  1.0
  Mg  Mg27  1  0.500  0.000  0.000  1.0
  Mg  Mg28  1  0.500  0.500  0.500  1.0
  Sb  Sb29  1  0.000  0.000  0.000  1.0
[/CIF]
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