The material described by SmCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form SmCe12 cuboctahedra that share corners with four equivalent Sm(1)Ce12 cuboctahedra, corners with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, edges with eight equivalent Sm(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Sm4 cuboctahedra, faces with four equivalent Sm(1)Ce12 cuboctahedra, faces with six equivalent Ce(2)Ce8Sm4 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Sm4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Sm(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeCe8Sm4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Sm4 cuboctahedra, edges with eight equivalent Sm(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Sm4 cuboctahedra, edges with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, faces with four equivalent Sm(1)Ce12 cuboctahedra, faces with four equivalent Ce(2)Ce8Sm4 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Sm4 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Sm(1) and eight equivalent Ce(1) atoms to form CeCe8Sm4 cuboctahedra that share corners with four equivalent Ce(2)Ce8Sm4 cuboctahedra, corners with eight equivalent Sm(1)Ce12 cuboctahedra, edges with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Sm4 cuboctahedra, faces with four equivalent Ce(2)Ce8Sm4 cuboctahedra, faces with six equivalent Sm(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Sm4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.985
_cell_angle_alpha   132.399
_cell_angle_beta   132.399
_cell_angle_gamma   69.600
_symmetry_Int_Tables_number   1
_cell_volume   114.658
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by SmCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form SmCe12 cuboctahedra that share corners with four equivalent Sm(1)Ce12 cuboctahedra, corners with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, edges with eight equivalent Sm(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Sm4 cuboctahedra, faces with four equivalent Sm(1)Ce12 cuboctahedra, faces with six equivalent Ce(2)Ce8Sm4 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Sm4 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Sm(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeCe8Sm4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Sm4 cuboctahedra, edges with eight equivalent Sm(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ce8Sm4 cuboctahedra, edges with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, faces with four equivalent Sm(1)Ce12 cuboctahedra, faces with four equivalent Ce(2)Ce8Sm4 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Sm4 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Sm(1) and eight equivalent Ce(1) atoms to form CeCe8Sm4 cuboctahedra that share corners with four equivalent Ce(2)Ce8Sm4 cuboctahedra, corners with eight equivalent Sm(1)Ce12 cuboctahedra, edges with eight equivalent Ce(2)Ce8Sm4 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Sm4 cuboctahedra, faces with four equivalent Ce(2)Ce8Sm4 cuboctahedra, faces with six equivalent Sm(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Sm4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   5.985
_cell_length_c   5.985
_cell_angle_alpha   132.399
_cell_angle_beta   132.399
_cell_angle_gamma   69.600
_symmetry_Int_Tables_number   1
_cell_volume   114.658
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
[/CIF]
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