The material described by YbEr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form YbEr12 cuboctahedra that share corners with four equivalent Yb(1)Er12 cuboctahedra, corners with eight equivalent Er(2)Yb4Er8 cuboctahedra, edges with eight equivalent Yb(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Yb4Er8 cuboctahedra, faces with four equivalent Yb(1)Er12 cuboctahedra, faces with six equivalent Er(2)Yb4Er8 cuboctahedra, and faces with eight equivalent Er(1)Yb4Er8 cuboctahedra. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Yb(1), four equivalent Er(1), and four equivalent Er(2) atoms to form ErYb4Er8 cuboctahedra that share corners with twelve equivalent Er(1)Yb4Er8 cuboctahedra, edges with eight equivalent Yb(1)Er12 cuboctahedra, edges with eight equivalent Er(1)Yb4Er8 cuboctahedra, edges with eight equivalent Er(2)Yb4Er8 cuboctahedra, faces with four equivalent Yb(1)Er12 cuboctahedra, faces with four equivalent Er(2)Yb4Er8 cuboctahedra, and faces with ten equivalent Er(1)Yb4Er8 cuboctahedra. In the second Er site, Er(2) is bonded to four equivalent Yb(1) and eight equivalent Er(1) atoms to form ErYb4Er8 cuboctahedra that share corners with four equivalent Er(2)Yb4Er8 cuboctahedra, corners with eight equivalent Yb(1)Er12 cuboctahedra, edges with eight equivalent Er(2)Yb4Er8 cuboctahedra, edges with sixteen equivalent Er(1)Yb4Er8 cuboctahedra, faces with four equivalent Er(2)Yb4Er8 cuboctahedra, faces with six equivalent Yb(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Yb4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.182
_cell_length_b   6.182
_cell_length_c   6.182
_cell_angle_alpha   132.026
_cell_angle_beta   132.026
_cell_angle_gamma   70.189
_symmetry_Int_Tables_number   1
_cell_volume   127.815
_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
  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 described by YbEr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form YbEr12 cuboctahedra that share corners with four equivalent Yb(1)Er12 cuboctahedra, corners with eight equivalent Er(2)Yb4Er8 cuboctahedra, edges with eight equivalent Yb(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Yb4Er8 cuboctahedra, faces with four equivalent Yb(1)Er12 cuboctahedra, faces with six equivalent Er(2)Yb4Er8 cuboctahedra, and faces with eight equivalent Er(1)Yb4Er8 cuboctahedra. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Yb(1), four equivalent Er(1), and four equivalent Er(2) atoms to form ErYb4Er8 cuboctahedra that share corners with twelve equivalent Er(1)Yb4Er8 cuboctahedra, edges with eight equivalent Yb(1)Er12 cuboctahedra, edges with eight equivalent Er(1)Yb4Er8 cuboctahedra, edges with eight equivalent Er(2)Yb4Er8 cuboctahedra, faces with four equivalent Yb(1)Er12 cuboctahedra, faces with four equivalent Er(2)Yb4Er8 cuboctahedra, and faces with ten equivalent Er(1)Yb4Er8 cuboctahedra. In the second Er site, Er(2) is bonded to four equivalent Yb(1) and eight equivalent Er(1) atoms to form ErYb4Er8 cuboctahedra that share corners with four equivalent Er(2)Yb4Er8 cuboctahedra, corners with eight equivalent Yb(1)Er12 cuboctahedra, edges with eight equivalent Er(2)Yb4Er8 cuboctahedra, edges with sixteen equivalent Er(1)Yb4Er8 cuboctahedra, faces with four equivalent Er(2)Yb4Er8 cuboctahedra, faces with six equivalent Yb(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Yb4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.182
_cell_length_b   6.182
_cell_length_c   6.182
_cell_angle_alpha   132.026
_cell_angle_beta   132.026
_cell_angle_gamma   70.189
_symmetry_Int_Tables_number   1
_cell_volume   127.815
_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
  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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