The crystal structure described by Er3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to eight equivalent Er(1) and four equivalent Nd(1) atoms to form ErNd4Er8 cuboctahedra that share corners with four equivalent Nd(1)Er12 cuboctahedra; corners with fourteen equivalent Er(1)Nd4Er8 cuboctahedra; edges with six equivalent Nd(1)Er12 cuboctahedra; edges with twelve equivalent Er(1)Nd4Er8 cuboctahedra; faces with four equivalent Nd(1)Er12 cuboctahedra; and faces with sixteen Er(1,1)Nd4Er8 cuboctahedra. In the second Er site, Er(1) is bonded to eight equivalent Er(1) and four equivalent Nd(1) atoms to form ErNd4Er8 cuboctahedra that share corners with four equivalent Nd(1)Er12 cuboctahedra; corners with fourteen Er(1,1)Nd4Er8 cuboctahedra; edges with six equivalent Nd(1)Er12 cuboctahedra; edges with twelve equivalent Er(1)Nd4Er8 cuboctahedra; faces with four equivalent Nd(1)Er12 cuboctahedra; and faces with sixteen Er(1,1)Nd4Er8 cuboctahedra. Nd(1) is bonded to twelve Er(1,1) atoms to form NdEr12 cuboctahedra that share corners with six equivalent Nd(1)Er12 cuboctahedra; corners with twelve Er(1,1)Nd4Er8 cuboctahedra; edges with eighteen Er(1,1)Nd4Er8 cuboctahedra; faces with eight equivalent Nd(1)Er12 cuboctahedra; and faces with twelve Er(1,1)Nd4Er8 cuboctahedra. is represented by the CIF file [CIF]
data_NdEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.217
_cell_length_b   7.217
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.101
_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
  Nd  Nd0  1  0.667  0.333  0.250  1.0
  Nd  Nd1  1  0.333  0.667  0.750  1.0
  Er  Er2  1  0.836  0.164  0.750  1.0
  Er  Er3  1  0.329  0.164  0.750  1.0
  Er  Er4  1  0.836  0.671  0.750  1.0
  Er  Er5  1  0.164  0.836  0.250  1.0
  Er  Er6  1  0.671  0.836  0.250  1.0
  Er  Er7  1  0.164  0.329  0.250  1.0
[/CIF]
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The crystal structure described by Er3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to eight equivalent Er(1) and four equivalent Nd(1) atoms to form ErNd4Er8 cuboctahedra that share corners with four equivalent Nd(1)Er12 cuboctahedra; corners with fourteen equivalent Er(1)Nd4Er8 cuboctahedra; edges with six equivalent Nd(1)Er12 cuboctahedra; edges with twelve equivalent Er(1)Nd4Er8 cuboctahedra; faces with four equivalent Nd(1)Er12 cuboctahedra; and faces with sixteen Er(1,1)Nd4Er8 cuboctahedra. In the second Er site, Er(1) is bonded to eight equivalent Er(1) and four equivalent Nd(1) atoms to form ErNd4Er8 cuboctahedra that share corners with four equivalent Nd(1)Er12 cuboctahedra; corners with fourteen Er(1,1)Nd4Er8 cuboctahedra; edges with six equivalent Nd(1)Er12 cuboctahedra; edges with twelve equivalent Er(1)Nd4Er8 cuboctahedra; faces with four equivalent Nd(1)Er12 cuboctahedra; and faces with sixteen Er(1,1)Nd4Er8 cuboctahedra. Nd(1) is bonded to twelve Er(1,1) atoms to form NdEr12 cuboctahedra that share corners with six equivalent Nd(1)Er12 cuboctahedra; corners with twelve Er(1,1)Nd4Er8 cuboctahedra; edges with eighteen Er(1,1)Nd4Er8 cuboctahedra; faces with eight equivalent Nd(1)Er12 cuboctahedra; and faces with twelve Er(1,1)Nd4Er8 cuboctahedra. is represented by the CIF file [CIF]
data_NdEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.217
_cell_length_b   7.217
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.101
_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
  Nd  Nd0  1  0.667  0.333  0.250  1.0
  Nd  Nd1  1  0.333  0.667  0.750  1.0
  Er  Er2  1  0.836  0.164  0.750  1.0
  Er  Er3  1  0.329  0.164  0.750  1.0
  Er  Er4  1  0.836  0.671  0.750  1.0
  Er  Er5  1  0.164  0.836  0.250  1.0
  Er  Er6  1  0.671  0.836  0.250  1.0
  Er  Er7  1  0.164  0.329  0.250  1.0
[/CIF]
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