The material described by CeCu5Au crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to four equivalent Au(1), three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), and six equivalent Cu(1) atoms. Au(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(4), two equivalent Cu(3), three equivalent Cu(2), and four equivalent Cu(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), two equivalent Au(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of distorted face, edge, and corner-sharing CuCe3Cu7Au2 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ce(1), three equivalent Au(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded to three equivalent Ce(1), two equivalent Au(1), one Cu(4), two equivalent Cu(2), and four equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing CuCe3Cu7Au2 cuboctahedra. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Ce(1), one Au(1), one Cu(3), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   8.188
_cell_length_c   10.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.042
_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
  Ce  Ce0  1  0.250  0.259  0.565  1.0
  Ce  Ce1  1  0.750  0.741  0.435  1.0
  Ce  Ce2  1  0.250  0.759  0.935  1.0
  Ce  Ce3  1  0.750  0.241  0.065  1.0
  Cu  Cu4  1  0.500  0.567  0.187  1.0
  Cu  Cu5  1  1.000  0.433  0.813  1.0
  Cu  Cu6  1  0.000  0.067  0.313  1.0
  Cu  Cu7  1  0.500  0.933  0.687  1.0
  Cu  Cu8  1  0.500  0.433  0.813  1.0
  Cu  Cu9  1  0.000  0.567  0.187  1.0
  Cu  Cu10  1  1.000  0.933  0.687  1.0
  Cu  Cu11  1  0.500  0.067  0.313  1.0
  Cu  Cu12  1  0.750  0.945  0.892  1.0
  Cu  Cu13  1  0.250  0.055  0.108  1.0
  Cu  Cu14  1  0.750  0.445  0.608  1.0
  Cu  Cu15  1  0.250  0.555  0.392  1.0
  Cu  Cu16  1  0.750  0.683  0.754  1.0
  Cu  Cu17  1  0.250  0.317  0.246  1.0
  Cu  Cu18  1  0.750  0.183  0.746  1.0
  Cu  Cu19  1  0.250  0.817  0.254  1.0
  Cu  Cu20  1  0.750  0.589  0.984  1.0
  Cu  Cu21  1  0.250  0.411  0.016  1.0
  Cu  Cu22  1  0.750  0.089  0.516  1.0
  Cu  Cu23  1  0.250  0.911  0.484  1.0
  Au  Au24  1  0.250  0.141  0.863  1.0
  Au  Au25  1  0.750  0.859  0.137  1.0
  Au  Au26  1  0.250  0.641  0.637  1.0
  Au  Au27  1  0.750  0.359  0.363  1.0
[/CIF]
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The material described by CeCu5Au crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to four equivalent Au(1), three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), and six equivalent Cu(1) atoms. Au(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(4), two equivalent Cu(3), three equivalent Cu(2), and four equivalent Cu(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), two equivalent Au(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of distorted face, edge, and corner-sharing CuCe3Cu7Au2 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ce(1), three equivalent Au(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded to three equivalent Ce(1), two equivalent Au(1), one Cu(4), two equivalent Cu(2), and four equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing CuCe3Cu7Au2 cuboctahedra. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Ce(1), one Au(1), one Cu(3), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   8.188
_cell_length_c   10.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.042
_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
  Ce  Ce0  1  0.250  0.259  0.565  1.0
  Ce  Ce1  1  0.750  0.741  0.435  1.0
  Ce  Ce2  1  0.250  0.759  0.935  1.0
  Ce  Ce3  1  0.750  0.241  0.065  1.0
  Cu  Cu4  1  0.500  0.567  0.187  1.0
  Cu  Cu5  1  1.000  0.433  0.813  1.0
  Cu  Cu6  1  0.000  0.067  0.313  1.0
  Cu  Cu7  1  0.500  0.933  0.687  1.0
  Cu  Cu8  1  0.500  0.433  0.813  1.0
  Cu  Cu9  1  0.000  0.567  0.187  1.0
  Cu  Cu10  1  1.000  0.933  0.687  1.0
  Cu  Cu11  1  0.500  0.067  0.313  1.0
  Cu  Cu12  1  0.750  0.945  0.892  1.0
  Cu  Cu13  1  0.250  0.055  0.108  1.0
  Cu  Cu14  1  0.750  0.445  0.608  1.0
  Cu  Cu15  1  0.250  0.555  0.392  1.0
  Cu  Cu16  1  0.750  0.683  0.754  1.0
  Cu  Cu17  1  0.250  0.317  0.246  1.0
  Cu  Cu18  1  0.750  0.183  0.746  1.0
  Cu  Cu19  1  0.250  0.817  0.254  1.0
  Cu  Cu20  1  0.750  0.589  0.984  1.0
  Cu  Cu21  1  0.250  0.411  0.016  1.0
  Cu  Cu22  1  0.750  0.089  0.516  1.0
  Cu  Cu23  1  0.250  0.911  0.484  1.0
  Au  Au24  1  0.250  0.141  0.863  1.0
  Au  Au25  1  0.750  0.859  0.137  1.0
  Au  Au26  1  0.250  0.641  0.637  1.0
  Au  Au27  1  0.750  0.359  0.363  1.0
[/CIF]
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