The material structure described by Er3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Er(1), four equivalent Er(2), and four equivalent Sm(1) atoms to form ErSm4Er8 cuboctahedra that share corners with twelve equivalent Er(1)Sm4Er8 cuboctahedra, edges with eight equivalent Er(1)Sm4Er8 cuboctahedra, edges with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with eight equivalent Sm(1)Er12 cuboctahedra, faces with four equivalent Er(2)Sm4Er8 cuboctahedra, faces with four equivalent Sm(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Sm4Er8 cuboctahedra. In the second Er site, Er(2) is bonded to eight equivalent Er(1) and four equivalent Sm(1) atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent Er(2)Sm4Er8 cuboctahedra, corners with eight equivalent Sm(1)Er12 cuboctahedra, edges with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with sixteen equivalent Er(1)Sm4Er8 cuboctahedra, faces with four equivalent Er(2)Sm4Er8 cuboctahedra, faces with six equivalent Sm(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Sm4Er8 cuboctahedra. Sm(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form SmEr12 cuboctahedra that share corners with four equivalent Sm(1)Er12 cuboctahedra, corners with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with eight equivalent Sm(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Sm4Er8 cuboctahedra, faces with four equivalent Sm(1)Er12 cuboctahedra, faces with six equivalent Er(2)Sm4Er8 cuboctahedra, and faces with eight equivalent Er(1)Sm4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.113
_cell_length_c   6.113
_cell_angle_alpha   131.576
_cell_angle_beta   131.576
_cell_angle_gamma   70.900
_symmetry_Int_Tables_number   1
_cell_volume   125.212
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.250  0.750  0.500  1.0
  Er  Er3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Er3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Er(1), four equivalent Er(2), and four equivalent Sm(1) atoms to form ErSm4Er8 cuboctahedra that share corners with twelve equivalent Er(1)Sm4Er8 cuboctahedra, edges with eight equivalent Er(1)Sm4Er8 cuboctahedra, edges with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with eight equivalent Sm(1)Er12 cuboctahedra, faces with four equivalent Er(2)Sm4Er8 cuboctahedra, faces with four equivalent Sm(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Sm4Er8 cuboctahedra. In the second Er site, Er(2) is bonded to eight equivalent Er(1) and four equivalent Sm(1) atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent Er(2)Sm4Er8 cuboctahedra, corners with eight equivalent Sm(1)Er12 cuboctahedra, edges with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with sixteen equivalent Er(1)Sm4Er8 cuboctahedra, faces with four equivalent Er(2)Sm4Er8 cuboctahedra, faces with six equivalent Sm(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Sm4Er8 cuboctahedra. Sm(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form SmEr12 cuboctahedra that share corners with four equivalent Sm(1)Er12 cuboctahedra, corners with eight equivalent Er(2)Sm4Er8 cuboctahedra, edges with eight equivalent Sm(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Sm4Er8 cuboctahedra, faces with four equivalent Sm(1)Er12 cuboctahedra, faces with six equivalent Er(2)Sm4Er8 cuboctahedra, and faces with eight equivalent Er(1)Sm4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.113
_cell_length_c   6.113
_cell_angle_alpha   131.576
_cell_angle_beta   131.576
_cell_angle_gamma   70.900
_symmetry_Int_Tables_number   1
_cell_volume   125.212
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.250  0.750  0.500  1.0
  Er  Er3  1  0.500  0.500  0.000  1.0
[/CIF]
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