The material described by Ce3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Y3 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Y3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Ce(1), six equivalent Ce(2), and three equivalent Y(1) atoms to form CeCe9Y3 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Y3 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Ce(2)Ce9Y3 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, faces with six equivalent Y(1)Ce6Y6 cuboctahedra, and faces with eight equivalent Ce(2)Ce9Y3 cuboctahedra. Y(1) is bonded to six equivalent Ce(2) and six equivalent Y(1) atoms to form YCe6Y6 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Y3 cuboctahedra, faces with six equivalent Y(1)Ce6Y6 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Y3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.448
_cell_length_b   3.448
_cell_length_c   11.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.425
_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  0.333  0.667  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.756  1.0
  Ce  Ce2  1  0.000  0.000  0.244  1.0
  Y  Y3  1  0.667  0.333  0.500  1.0
[/CIF]
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The material described by Ce3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Ce(1) and six equivalent Ce(2) atoms to form CeCe12 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Y3 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Y3 cuboctahedra. In the second Ce site, Ce(2) is bonded to three equivalent Ce(1), six equivalent Ce(2), and three equivalent Y(1) atoms to form CeCe9Y3 cuboctahedra that share corners with eighteen equivalent Ce(2)Ce9Y3 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Ce(2)Ce9Y3 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, faces with six equivalent Ce(1)Ce12 cuboctahedra, faces with six equivalent Y(1)Ce6Y6 cuboctahedra, and faces with eight equivalent Ce(2)Ce9Y3 cuboctahedra. Y(1) is bonded to six equivalent Ce(2) and six equivalent Y(1) atoms to form YCe6Y6 cuboctahedra that share corners with six equivalent Ce(1)Ce12 cuboctahedra, corners with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with six equivalent Ce(1)Ce12 cuboctahedra, edges with six equivalent Y(1)Ce6Y6 cuboctahedra, edges with twelve equivalent Ce(2)Ce9Y3 cuboctahedra, faces with six equivalent Y(1)Ce6Y6 cuboctahedra, and faces with twelve equivalent Ce(2)Ce9Y3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.448
_cell_length_b   3.448
_cell_length_c   11.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.425
_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  0.333  0.667  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.756  1.0
  Ce  Ce2  1  0.000  0.000  0.244  1.0
  Y  Y3  1  0.667  0.333  0.500  1.0
[/CIF]
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