The material described by Sm3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sm(1) is bonded to eight equivalent Sm(1) and four equivalent Y(1) atoms to form SmSm8Y4 cuboctahedra that share corners with four equivalent Y(1)Sm12 cuboctahedra, corners with fourteen equivalent Sm(1)Sm8Y4 cuboctahedra, edges with six equivalent Y(1)Sm12 cuboctahedra, edges with twelve equivalent Sm(1)Sm8Y4 cuboctahedra, faces with four equivalent Y(1)Sm12 cuboctahedra, and faces with sixteen equivalent Sm(1)Sm8Y4 cuboctahedra. Y(1) is bonded to twelve equivalent Sm(1) atoms to form YSm12 cuboctahedra that share corners with six equivalent Y(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(1)Sm8Y4 cuboctahedra, edges with eighteen equivalent Sm(1)Sm8Y4 cuboctahedra, faces with eight equivalent Y(1)Sm12 cuboctahedra, and faces with twelve equivalent Sm(1)Sm8Y4 cuboctahedra. is represented by the CIF file [CIF]
data_Sm3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   5.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.552
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.168  0.337  0.250  1.0
  Sm  Sm1  1  0.663  0.832  0.250  1.0
  Sm  Sm2  1  0.168  0.831  0.250  1.0
  Sm  Sm3  1  0.832  0.663  0.750  1.0
  Sm  Sm4  1  0.337  0.168  0.750  1.0
  Sm  Sm5  1  0.832  0.168  0.750  1.0
  Y  Y6  1  0.333  0.667  0.750  1.0
  Y  Y7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Sm3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sm(1) is bonded to eight equivalent Sm(1) and four equivalent Y(1) atoms to form SmSm8Y4 cuboctahedra that share corners with four equivalent Y(1)Sm12 cuboctahedra, corners with fourteen equivalent Sm(1)Sm8Y4 cuboctahedra, edges with six equivalent Y(1)Sm12 cuboctahedra, edges with twelve equivalent Sm(1)Sm8Y4 cuboctahedra, faces with four equivalent Y(1)Sm12 cuboctahedra, and faces with sixteen equivalent Sm(1)Sm8Y4 cuboctahedra. Y(1) is bonded to twelve equivalent Sm(1) atoms to form YSm12 cuboctahedra that share corners with six equivalent Y(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(1)Sm8Y4 cuboctahedra, edges with eighteen equivalent Sm(1)Sm8Y4 cuboctahedra, faces with eight equivalent Y(1)Sm12 cuboctahedra, and faces with twelve equivalent Sm(1)Sm8Y4 cuboctahedra. is represented by the CIF file [CIF]
data_Sm3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.387
_cell_length_c   5.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.552
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.168  0.337  0.250  1.0
  Sm  Sm1  1  0.663  0.832  0.250  1.0
  Sm  Sm2  1  0.168  0.831  0.250  1.0
  Sm  Sm3  1  0.832  0.663  0.750  1.0
  Sm  Sm4  1  0.337  0.168  0.750  1.0
  Sm  Sm5  1  0.832  0.168  0.750  1.0
  Y  Y6  1  0.333  0.667  0.750  1.0
  Y  Y7  1  0.667  0.333  0.250  1.0
[/CIF]
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