The compound described by Ce3Sc crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Ce(2), six equivalent Ce(1), and three equivalent Sc(1) atoms to form CeCe9Sc3 cuboctahedra that share corners with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Ce(2)Ce12 cuboctahedra, faces with six equivalent Ce(1)Ce9Sc3 cuboctahedra, and faces with six equivalent Sc(1)Ce6Sc6 cuboctahedra. In the second Ce site, Ce(2) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(2)Ce12 cuboctahedra, corners with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Ce(2)Ce12 cuboctahedra, and faces with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra. Sc(1) is bonded to six equivalent Ce(1) and six equivalent Sc(1) atoms to form ScCe6Sc6 cuboctahedra that share corners with six equivalent Ce(2)Ce12 cuboctahedra, corners with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Sc(1)Ce6Sc6 cuboctahedra, and faces with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.215
_cell_length_b   11.215
_cell_length_c   11.215
_cell_angle_alpha   17.383
_cell_angle_beta   17.383
_cell_angle_gamma   17.383
_symmetry_Int_Tables_number   1
_cell_volume   109.875
_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  0.250  0.250  0.250  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.750  0.750  0.750  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ce3Sc crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Ce(2), six equivalent Ce(1), and three equivalent Sc(1) atoms to form CeCe9Sc3 cuboctahedra that share corners with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Ce(2)Ce12 cuboctahedra, faces with six equivalent Ce(1)Ce9Sc3 cuboctahedra, and faces with six equivalent Sc(1)Ce6Sc6 cuboctahedra. In the second Ce site, Ce(2) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(2)Ce12 cuboctahedra, corners with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Ce(2)Ce12 cuboctahedra, and faces with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra. Sc(1) is bonded to six equivalent Ce(1) and six equivalent Sc(1) atoms to form ScCe6Sc6 cuboctahedra that share corners with six equivalent Ce(2)Ce12 cuboctahedra, corners with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with six equivalent Ce(2)Ce12 cuboctahedra, edges with six equivalent Sc(1)Ce6Sc6 cuboctahedra, edges with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra, faces with six equivalent Sc(1)Ce6Sc6 cuboctahedra, and faces with twelve equivalent Ce(1)Ce9Sc3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.215
_cell_length_b   11.215
_cell_length_c   11.215
_cell_angle_alpha   17.383
_cell_angle_beta   17.383
_cell_angle_gamma   17.383
_symmetry_Int_Tables_number   1
_cell_volume   109.875
_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  0.250  0.250  0.250  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.750  0.750  0.750  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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