The material structure described by Er5Au2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Au(1) and two equivalent Bi(1) atoms to form corner-sharing ErBi2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Er(1) and six equivalent Er(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5BiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.609
_cell_length_b   8.609
_cell_length_c   8.609
_cell_angle_alpha   124.449
_cell_angle_beta   124.449
_cell_angle_gamma   82.453
_symmetry_Int_Tables_number   1
_cell_volume   416.917
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Er  Er2  1  0.514  0.014  0.808  1.0
  Er  Er3  1  0.207  0.707  0.192  1.0
  Er  Er4  1  0.014  0.207  0.500  1.0
  Er  Er5  1  0.707  0.514  0.500  1.0
  Er  Er6  1  0.486  0.986  0.192  1.0
  Er  Er7  1  0.793  0.293  0.808  1.0
  Er  Er8  1  0.986  0.793  0.500  1.0
  Er  Er9  1  0.293  0.486  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Au  Au12  1  0.138  0.638  0.777  1.0
  Au  Au13  1  0.862  0.362  0.223  1.0
  Au  Au14  1  0.638  0.862  0.500  1.0
  Au  Au15  1  0.362  0.138  0.500  1.0
[/CIF]
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The material structure described by Er5Au2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Au(1) and two equivalent Bi(1) atoms to form corner-sharing ErBi2Au4 octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the second Er site, Er(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Er(1) and six equivalent Er(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Er(1) and eight equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5BiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.609
_cell_length_b   8.609
_cell_length_c   8.609
_cell_angle_alpha   124.449
_cell_angle_beta   124.449
_cell_angle_gamma   82.453
_symmetry_Int_Tables_number   1
_cell_volume   416.917
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Er  Er2  1  0.514  0.014  0.808  1.0
  Er  Er3  1  0.207  0.707  0.192  1.0
  Er  Er4  1  0.014  0.207  0.500  1.0
  Er  Er5  1  0.707  0.514  0.500  1.0
  Er  Er6  1  0.486  0.986  0.192  1.0
  Er  Er7  1  0.793  0.293  0.808  1.0
  Er  Er8  1  0.986  0.793  0.500  1.0
  Er  Er9  1  0.293  0.486  0.500  1.0
  Bi  Bi10  1  0.250  0.250  0.000  1.0
  Bi  Bi11  1  0.750  0.750  0.000  1.0
  Au  Au12  1  0.138  0.638  0.777  1.0
  Au  Au13  1  0.862  0.362  0.223  1.0
  Au  Au14  1  0.638  0.862  0.500  1.0
  Au  Au15  1  0.362  0.138  0.500  1.0
[/CIF]
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