The structure described by CeCu6 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(3), and six equivalent Cu(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(1), two equivalent Cu(4), three equivalent Cu(5), and four equivalent Cu(2) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and three equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_CeCu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   8.060
_cell_length_c   10.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.884
_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  0.250  0.900  0.484  1.0
  Cu  Cu5  1  0.750  0.100  0.516  1.0
  Cu  Cu6  1  0.250  0.400  0.016  1.0
  Cu  Cu7  1  0.750  0.600  0.984  1.0
  Cu  Cu8  1  0.505  0.065  0.308  1.0
  Cu  Cu9  1  0.005  0.935  0.692  1.0
  Cu  Cu10  1  0.995  0.565  0.192  1.0
  Cu  Cu11  1  0.495  0.435  0.808  1.0
  Cu  Cu12  1  0.495  0.935  0.692  1.0
  Cu  Cu13  1  0.995  0.065  0.308  1.0
  Cu  Cu14  1  0.005  0.435  0.808  1.0
  Cu  Cu15  1  0.505  0.565  0.192  1.0
  Cu  Cu16  1  0.750  0.354  0.357  1.0
  Cu  Cu17  1  0.250  0.646  0.643  1.0
  Cu  Cu18  1  0.750  0.854  0.143  1.0
  Cu  Cu19  1  0.250  0.146  0.857  1.0
  Cu  Cu20  1  0.750  0.683  0.744  1.0
  Cu  Cu21  1  0.250  0.317  0.256  1.0
  Cu  Cu22  1  0.750  0.183  0.756  1.0
  Cu  Cu23  1  0.250  0.817  0.244  1.0
  Cu  Cu24  1  0.750  0.938  0.905  1.0
  Cu  Cu25  1  0.250  0.062  0.095  1.0
  Cu  Cu26  1  0.750  0.438  0.595  1.0
  Cu  Cu27  1  0.250  0.562  0.405  1.0
[/CIF]
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The structure described by CeCu6 crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(3), and six equivalent Cu(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ce(1), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(1), two equivalent Cu(4), three equivalent Cu(5), and four equivalent Cu(2) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent Ce(1), one Cu(1), two equivalent Cu(3), two equivalent Cu(5), and four equivalent Cu(2) atoms to form a mixture of face, corner, and edge-sharing CuCe3Cu9 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and three equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_CeCu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   8.060
_cell_length_c   10.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.884
_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  0.250  0.900  0.484  1.0
  Cu  Cu5  1  0.750  0.100  0.516  1.0
  Cu  Cu6  1  0.250  0.400  0.016  1.0
  Cu  Cu7  1  0.750  0.600  0.984  1.0
  Cu  Cu8  1  0.505  0.065  0.308  1.0
  Cu  Cu9  1  0.005  0.935  0.692  1.0
  Cu  Cu10  1  0.995  0.565  0.192  1.0
  Cu  Cu11  1  0.495  0.435  0.808  1.0
  Cu  Cu12  1  0.495  0.935  0.692  1.0
  Cu  Cu13  1  0.995  0.065  0.308  1.0
  Cu  Cu14  1  0.005  0.435  0.808  1.0
  Cu  Cu15  1  0.505  0.565  0.192  1.0
  Cu  Cu16  1  0.750  0.354  0.357  1.0
  Cu  Cu17  1  0.250  0.646  0.643  1.0
  Cu  Cu18  1  0.750  0.854  0.143  1.0
  Cu  Cu19  1  0.250  0.146  0.857  1.0
  Cu  Cu20  1  0.750  0.683  0.744  1.0
  Cu  Cu21  1  0.250  0.317  0.256  1.0
  Cu  Cu22  1  0.750  0.183  0.756  1.0
  Cu  Cu23  1  0.250  0.817  0.244  1.0
  Cu  Cu24  1  0.750  0.938  0.905  1.0
  Cu  Cu25  1  0.250  0.062  0.095  1.0
  Cu  Cu26  1  0.750  0.438  0.595  1.0
  Cu  Cu27  1  0.250  0.562  0.405  1.0
[/CIF]
.