The compound described by Er2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Au(1) atoms to form a mixture of edge and corner-sharing ErAu4 tetrahedra. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to five equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to four equivalent Er(1) and five equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   7.008
_cell_length_c   8.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.196
_cell_formula_units_Z   4
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  0.648  0.582  1.0
  Er  Er1  1  0.750  0.148  0.918  1.0
  Er  Er2  1  0.250  0.352  0.418  1.0
  Er  Er3  1  0.250  0.852  0.082  1.0
  Er  Er4  1  0.750  0.013  0.324  1.0
  Er  Er5  1  0.750  0.513  0.176  1.0
  Er  Er6  1  0.250  0.987  0.676  1.0
  Er  Er7  1  0.250  0.487  0.824  1.0
  Au  Au8  1  0.750  0.243  0.597  1.0
  Au  Au9  1  0.750  0.743  0.903  1.0
  Au  Au10  1  0.250  0.757  0.403  1.0
  Au  Au11  1  0.250  0.257  0.097  1.0
[/CIF]
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The compound described by Er2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Au(1) atoms to form a mixture of edge and corner-sharing ErAu4 tetrahedra. In the second Er site, Er(2) is bonded in a 3-coordinate geometry to five equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to four equivalent Er(1) and five equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.894
_cell_length_b   7.008
_cell_length_c   8.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.196
_cell_formula_units_Z   4
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  0.648  0.582  1.0
  Er  Er1  1  0.750  0.148  0.918  1.0
  Er  Er2  1  0.250  0.352  0.418  1.0
  Er  Er3  1  0.250  0.852  0.082  1.0
  Er  Er4  1  0.750  0.013  0.324  1.0
  Er  Er5  1  0.750  0.513  0.176  1.0
  Er  Er6  1  0.250  0.987  0.676  1.0
  Er  Er7  1  0.250  0.487  0.824  1.0
  Au  Au8  1  0.750  0.243  0.597  1.0
  Au  Au9  1  0.750  0.743  0.903  1.0
  Au  Au10  1  0.250  0.757  0.403  1.0
  Au  Au11  1  0.250  0.257  0.097  1.0
[/CIF]
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