The material structure described by CeFe4Sb12 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent Sb(1) atoms to form CeSb12 cuboctahedra that share faces with eight equivalent Fe(1)Sb6 octahedra. Fe(1) is bonded to six equivalent Sb(1) atoms to form FeSb6 octahedra that share corners with six equivalent Fe(1)Sb6 octahedra and faces with two equivalent Ce(1)Sb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. Sb(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Fe(1), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Ce(FeSb3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.930
_cell_length_b   7.930
_cell_length_c   7.930
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   383.817
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Sb  Sb5  1  0.163  0.829  0.666  1.0
  Sb  Sb6  1  0.837  0.171  0.334  1.0
  Sb  Sb7  1  0.163  0.497  0.334  1.0
  Sb  Sb8  1  0.837  0.503  0.666  1.0
  Sb  Sb9  1  0.666  0.163  0.829  1.0
  Sb  Sb10  1  0.334  0.837  0.171  1.0
  Sb  Sb11  1  0.334  0.163  0.497  1.0
  Sb  Sb12  1  0.666  0.837  0.503  1.0
  Sb  Sb13  1  0.829  0.666  0.163  1.0
  Sb  Sb14  1  0.171  0.334  0.837  1.0
  Sb  Sb15  1  0.497  0.334  0.163  1.0
  Sb  Sb16  1  0.503  0.666  0.837  1.0
[/CIF]
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The material structure described by CeFe4Sb12 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent Sb(1) atoms to form CeSb12 cuboctahedra that share faces with eight equivalent Fe(1)Sb6 octahedra. Fe(1) is bonded to six equivalent Sb(1) atoms to form FeSb6 octahedra that share corners with six equivalent Fe(1)Sb6 octahedra and faces with two equivalent Ce(1)Sb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. Sb(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Fe(1), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Ce(FeSb3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.930
_cell_length_b   7.930
_cell_length_c   7.930
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   383.817
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Sb  Sb5  1  0.163  0.829  0.666  1.0
  Sb  Sb6  1  0.837  0.171  0.334  1.0
  Sb  Sb7  1  0.163  0.497  0.334  1.0
  Sb  Sb8  1  0.837  0.503  0.666  1.0
  Sb  Sb9  1  0.666  0.163  0.829  1.0
  Sb  Sb10  1  0.334  0.837  0.171  1.0
  Sb  Sb11  1  0.334  0.163  0.497  1.0
  Sb  Sb12  1  0.666  0.837  0.503  1.0
  Sb  Sb13  1  0.829  0.666  0.163  1.0
  Sb  Sb14  1  0.171  0.334  0.837  1.0
  Sb  Sb15  1  0.497  0.334  0.163  1.0
  Sb  Sb16  1  0.503  0.666  0.837  1.0
[/CIF]
.