The material described by Er3Pb is Uranium Silicide-like 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 Pb(1) atoms to form distorted ErEr8Pb4 cuboctahedra that share corners with twelve equivalent Er(1)Er8Pb4 cuboctahedra, edges with eight equivalent Er(1)Er8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Er12 cuboctahedra, faces with four equivalent Pb(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Er8Pb4 cuboctahedra. In the second Er site, Er(2) is bonded in a square co-planar geometry to eight equivalent Er(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form PbEr12 cuboctahedra that share corners with four equivalent Pb(1)Er12 cuboctahedra, edges with eight equivalent Pb(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Er8Pb4 cuboctahedra, faces with four equivalent Pb(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Er8Pb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   6.203
_cell_angle_alpha   136.423
_cell_angle_beta   136.423
_cell_angle_gamma   63.327
_symmetry_Int_Tables_number   1
_cell_volume   111.945
_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
  Er  Er0  1  0.750  0.250  0.500  1.0
  Er  Er1  1  0.250  0.750  0.500  1.0
  Er  Er2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Er3Pb is Uranium Silicide-like 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 Pb(1) atoms to form distorted ErEr8Pb4 cuboctahedra that share corners with twelve equivalent Er(1)Er8Pb4 cuboctahedra, edges with eight equivalent Er(1)Er8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Er12 cuboctahedra, faces with four equivalent Pb(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Er8Pb4 cuboctahedra. In the second Er site, Er(2) is bonded in a square co-planar geometry to eight equivalent Er(1) and four equivalent Pb(1) atoms. Pb(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form PbEr12 cuboctahedra that share corners with four equivalent Pb(1)Er12 cuboctahedra, edges with eight equivalent Pb(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Er8Pb4 cuboctahedra, faces with four equivalent Pb(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Er8Pb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   6.203
_cell_angle_alpha   136.423
_cell_angle_beta   136.423
_cell_angle_gamma   63.327
_symmetry_Int_Tables_number   1
_cell_volume   111.945
_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
  Er  Er0  1  0.750  0.250  0.500  1.0
  Er  Er1  1  0.250  0.750  0.500  1.0
  Er  Er2  1  0.500  0.500  0.000  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
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