The material described by YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form YbSm12 cuboctahedra that share corners with four equivalent Yb(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Yb(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)Yb4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Yb(1) and eight equivalent Sm(1) atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Yb4Sm8 cuboctahedra, corners with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with six equivalent Yb(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   132.016
_cell_angle_beta   132.016
_cell_angle_gamma   70.203
_symmetry_Int_Tables_number   1
_cell_volume   138.266
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form YbSm12 cuboctahedra that share corners with four equivalent Yb(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Yb(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)Yb4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Yb(1) and eight equivalent Sm(1) atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Yb4Sm8 cuboctahedra, corners with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with six equivalent Yb(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   132.016
_cell_angle_beta   132.016
_cell_angle_gamma   70.203
_symmetry_Int_Tables_number   1
_cell_volume   138.266
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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