The structure described by CeCu5Sn crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), six equivalent Cu(1), and four equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(4), two equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and three equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(3), four equivalent Cu(1), and one Sn(1) atom. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(4), two equivalent Cu(2), three equivalent Cu(3), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CeCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.273
_cell_length_c   10.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.652
_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  0.750  0.255  0.941  1.0
  Ce  Ce1  1  0.250  0.745  0.059  1.0
  Ce  Ce2  1  0.750  0.755  0.559  1.0
  Ce  Ce3  1  0.250  0.245  0.441  1.0
  Cu  Cu4  1  1.000  0.569  0.313  1.0
  Cu  Cu5  1  0.500  0.569  0.313  1.0
  Cu  Cu6  1  0.500  0.431  0.687  1.0
  Cu  Cu7  1  0.750  0.819  0.242  1.0
  Cu  Cu8  1  0.250  0.181  0.758  1.0
  Cu  Cu9  1  0.250  0.437  0.892  1.0
  Cu  Cu10  1  1.000  0.069  0.187  1.0
  Cu  Cu11  1  0.250  0.082  0.984  1.0
  Cu  Cu12  1  0.500  0.931  0.813  1.0
  Cu  Cu13  1  0.750  0.063  0.392  1.0
  Cu  Cu14  1  0.750  0.918  0.016  1.0
  Cu  Cu15  1  0.250  0.582  0.516  1.0
  Cu  Cu16  1  0.000  0.431  0.687  1.0
  Cu  Cu17  1  0.750  0.319  0.258  1.0
  Cu  Cu18  1  0.750  0.418  0.484  1.0
  Cu  Cu19  1  0.750  0.563  0.108  1.0
  Cu  Cu20  1  0.500  0.069  0.187  1.0
  Cu  Cu21  1  0.250  0.937  0.608  1.0
  Cu  Cu22  1  0.250  0.681  0.742  1.0
  Cu  Cu23  1  0.000  0.931  0.813  1.0
  Sn  Sn24  1  0.250  0.860  0.361  1.0
  Sn  Sn25  1  0.250  0.360  0.139  1.0
  Sn  Sn26  1  0.750  0.140  0.639  1.0
  Sn  Sn27  1  0.750  0.640  0.861  1.0
[/CIF]
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The structure described by CeCu5Sn crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), six equivalent Cu(1), and four equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Ce(1), one Cu(4), two equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing CuCe3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and three equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(3), four equivalent Cu(1), and one Sn(1) atom. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Ce(1), one Cu(4), two equivalent Cu(2), three equivalent Cu(3), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_CeCu5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.273
_cell_length_c   10.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.652
_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  0.750  0.255  0.941  1.0
  Ce  Ce1  1  0.250  0.745  0.059  1.0
  Ce  Ce2  1  0.750  0.755  0.559  1.0
  Ce  Ce3  1  0.250  0.245  0.441  1.0
  Cu  Cu4  1  1.000  0.569  0.313  1.0
  Cu  Cu5  1  0.500  0.569  0.313  1.0
  Cu  Cu6  1  0.500  0.431  0.687  1.0
  Cu  Cu7  1  0.750  0.819  0.242  1.0
  Cu  Cu8  1  0.250  0.181  0.758  1.0
  Cu  Cu9  1  0.250  0.437  0.892  1.0
  Cu  Cu10  1  1.000  0.069  0.187  1.0
  Cu  Cu11  1  0.250  0.082  0.984  1.0
  Cu  Cu12  1  0.500  0.931  0.813  1.0
  Cu  Cu13  1  0.750  0.063  0.392  1.0
  Cu  Cu14  1  0.750  0.918  0.016  1.0
  Cu  Cu15  1  0.250  0.582  0.516  1.0
  Cu  Cu16  1  0.000  0.431  0.687  1.0
  Cu  Cu17  1  0.750  0.319  0.258  1.0
  Cu  Cu18  1  0.750  0.418  0.484  1.0
  Cu  Cu19  1  0.750  0.563  0.108  1.0
  Cu  Cu20  1  0.500  0.069  0.187  1.0
  Cu  Cu21  1  0.250  0.937  0.608  1.0
  Cu  Cu22  1  0.250  0.681  0.742  1.0
  Cu  Cu23  1  0.000  0.931  0.813  1.0
  Sn  Sn24  1  0.250  0.860  0.361  1.0
  Sn  Sn25  1  0.250  0.360  0.139  1.0
  Sn  Sn26  1  0.750  0.140  0.639  1.0
  Sn  Sn27  1  0.750  0.640  0.861  1.0
[/CIF]
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