The structure described by ErSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to twelve equivalent Sm(1) atoms to form ErSm12 cuboctahedra that share corners with six equivalent Er(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(1)Sm8Er4 cuboctahedra, edges with eighteen equivalent Sm(1)Sm8Er4 cuboctahedra, faces with eight equivalent Er(1)Sm12 cuboctahedra, and faces with twelve equivalent Sm(1)Sm8Er4 cuboctahedra. Sm(1) is bonded to four equivalent Er(1) and eight equivalent Sm(1) atoms to form SmSm8Er4 cuboctahedra that share corners with four equivalent Er(1)Sm12 cuboctahedra, corners with fourteen equivalent Sm(1)Sm8Er4 cuboctahedra, edges with six equivalent Er(1)Sm12 cuboctahedra, edges with twelve equivalent Sm(1)Sm8Er4 cuboctahedra, faces with four equivalent Er(1)Sm12 cuboctahedra, and faces with sixteen equivalent Sm(1)Sm8Er4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3Er
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   5.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   272.655
_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  0.169  0.338  0.250  1.0
  Sm  Sm1  1  0.662  0.831  0.250  1.0
  Sm  Sm2  1  0.169  0.831  0.250  1.0
  Sm  Sm3  1  0.831  0.662  0.750  1.0
  Sm  Sm4  1  0.338  0.169  0.750  1.0
  Sm  Sm5  1  0.831  0.169  0.750  1.0
  Er  Er6  1  0.333  0.667  0.750  1.0
  Er  Er7  1  0.667  0.333  0.250  1.0
[/CIF]
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The structure described by ErSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to twelve equivalent Sm(1) atoms to form ErSm12 cuboctahedra that share corners with six equivalent Er(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(1)Sm8Er4 cuboctahedra, edges with eighteen equivalent Sm(1)Sm8Er4 cuboctahedra, faces with eight equivalent Er(1)Sm12 cuboctahedra, and faces with twelve equivalent Sm(1)Sm8Er4 cuboctahedra. Sm(1) is bonded to four equivalent Er(1) and eight equivalent Sm(1) atoms to form SmSm8Er4 cuboctahedra that share corners with four equivalent Er(1)Sm12 cuboctahedra, corners with fourteen equivalent Sm(1)Sm8Er4 cuboctahedra, edges with six equivalent Er(1)Sm12 cuboctahedra, edges with twelve equivalent Sm(1)Sm8Er4 cuboctahedra, faces with four equivalent Er(1)Sm12 cuboctahedra, and faces with sixteen equivalent Sm(1)Sm8Er4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3Er
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   5.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   272.655
_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  0.169  0.338  0.250  1.0
  Sm  Sm1  1  0.662  0.831  0.250  1.0
  Sm  Sm2  1  0.169  0.831  0.250  1.0
  Sm  Sm3  1  0.831  0.662  0.750  1.0
  Sm  Sm4  1  0.338  0.169  0.750  1.0
  Sm  Sm5  1  0.831  0.169  0.750  1.0
  Er  Er6  1  0.333  0.667  0.750  1.0
  Er  Er7  1  0.667  0.333  0.250  1.0
[/CIF]
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