The material described by CeCu4Sn crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to one Cu(2), one Cu(8), two equivalent Cu(1), two equivalent Cu(4), three equivalent Cu(3), three equivalent Cu(5), one Sn(2), and three equivalent Sn(1) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Cu(1), one Cu(4), two equivalent Cu(2), two equivalent Cu(8), three equivalent Cu(6), three equivalent Cu(7), one Sn(1), and three equivalent Sn(2) atoms. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Ce(2), two equivalent Ce(1), one Cu(5), one Cu(6), one Cu(7), one Cu(8), one Sn(1), and one Sn(2) atom. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to one Ce(1), two equivalent Ce(2), one Cu(3), one Cu(4), one Cu(5), one Cu(7), and two equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(4), one Cu(8), two equivalent Cu(5), one Sn(1), and one Sn(2) atom. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), one Cu(2), one Cu(3), one Cu(5), one Cu(6), one Sn(1), and one Sn(2) atom. In the fifth Cu site, Cu(5) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(2), one Cu(4), two equivalent Cu(3), and two equivalent Sn(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 10-coordinate geometry to three equivalent Ce(2), one Cu(1), one Cu(4), one Cu(8), two equivalent Cu(7), one Sn(1), and one Sn(2) atom. In the seventh Cu site, Cu(7) is bonded in a 10-coordinate geometry to three equivalent Ce(2), one Cu(1), one Cu(2), one Cu(8), two equivalent Cu(6), and two equivalent Sn(2) atoms. In the eighth Cu site, Cu(8) is bonded in a 9-coordinate geometry to one Ce(1), two equivalent Ce(2), one Cu(1), one Cu(3), one Cu(6), one Cu(7), one Sn(1), and one Sn(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(1), one Cu(1), one Cu(3), one Cu(4), one Cu(6), one Cu(8), and two equivalent Cu(5) atoms. In the second Sn site, Sn(2) is bonded in a 13-coordinate geometry to one Ce(1), three equivalent Ce(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), one Cu(8), two equivalent Cu(2), and two equivalent Cu(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.919
_cell_length_b   5.783
_cell_length_c   9.178
_cell_angle_alpha   89.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.275
_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  0.123  0.877  0.973  1.0
  Ce  Ce1  1  0.876  0.376  0.527  1.0
  Ce  Ce2  1  0.623  0.123  0.027  1.0
  Ce  Ce3  1  0.376  0.624  0.473  1.0
  Cu  Cu4  1  0.857  0.080  0.784  1.0
  Cu  Cu5  1  0.642  0.423  0.283  1.0
  Cu  Cu6  1  0.142  0.577  0.717  1.0
  Cu  Cu7  1  0.330  0.378  0.883  1.0
  Cu  Cu8  1  0.431  0.774  0.797  1.0
  Cu  Cu9  1  0.502  0.641  0.055  1.0
  Cu  Cu10  1  0.666  0.883  0.616  1.0
  Cu  Cu11  1  0.995  0.861  0.562  1.0
  Cu  Cu12  1  0.067  0.709  0.302  1.0
  Cu  Cu13  1  0.002  0.359  0.945  1.0
  Cu  Cu14  1  0.830  0.622  0.117  1.0
  Cu  Cu15  1  0.166  0.117  0.384  1.0
  Cu  Cu16  1  0.495  0.139  0.438  1.0
  Cu  Cu17  1  0.357  0.920  0.216  1.0
  Cu  Cu18  1  0.931  0.226  0.203  1.0
  Cu  Cu19  1  0.567  0.291  0.698  1.0
  Sn  Sn20  1  0.254  0.375  0.163  1.0
  Sn  Sn21  1  0.253  0.117  0.661  1.0
  Sn  Sn22  1  0.753  0.883  0.339  1.0
  Sn  Sn23  1  0.754  0.625  0.837  1.0
[/CIF]
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The material described by CeCu4Sn crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to one Cu(2), one Cu(8), two equivalent Cu(1), two equivalent Cu(4), three equivalent Cu(3), three equivalent Cu(5), one Sn(2), and three equivalent Sn(1) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Cu(1), one Cu(4), two equivalent Cu(2), two equivalent Cu(8), three equivalent Cu(6), three equivalent Cu(7), one Sn(1), and three equivalent Sn(2) atoms. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Ce(2), two equivalent Ce(1), one Cu(5), one Cu(6), one Cu(7), one Cu(8), one Sn(1), and one Sn(2) atom. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to one Ce(1), two equivalent Ce(2), one Cu(3), one Cu(4), one Cu(5), one Cu(7), and two equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(4), one Cu(8), two equivalent Cu(5), one Sn(1), and one Sn(2) atom. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), one Cu(2), one Cu(3), one Cu(5), one Cu(6), one Sn(1), and one Sn(2) atom. In the fifth Cu site, Cu(5) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(2), one Cu(4), two equivalent Cu(3), and two equivalent Sn(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 10-coordinate geometry to three equivalent Ce(2), one Cu(1), one Cu(4), one Cu(8), two equivalent Cu(7), one Sn(1), and one Sn(2) atom. In the seventh Cu site, Cu(7) is bonded in a 10-coordinate geometry to three equivalent Ce(2), one Cu(1), one Cu(2), one Cu(8), two equivalent Cu(6), and two equivalent Sn(2) atoms. In the eighth Cu site, Cu(8) is bonded in a 9-coordinate geometry to one Ce(1), two equivalent Ce(2), one Cu(1), one Cu(3), one Cu(6), one Cu(7), one Sn(1), and one Sn(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(1), one Cu(1), one Cu(3), one Cu(4), one Cu(6), one Cu(8), and two equivalent Cu(5) atoms. In the second Sn site, Sn(2) is bonded in a 13-coordinate geometry to one Ce(1), three equivalent Ce(2), one Cu(1), one Cu(3), one Cu(4), one Cu(6), one Cu(8), two equivalent Cu(2), and two equivalent Cu(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.919
_cell_length_b   5.783
_cell_length_c   9.178
_cell_angle_alpha   89.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.275
_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  0.123  0.877  0.973  1.0
  Ce  Ce1  1  0.876  0.376  0.527  1.0
  Ce  Ce2  1  0.623  0.123  0.027  1.0
  Ce  Ce3  1  0.376  0.624  0.473  1.0
  Cu  Cu4  1  0.857  0.080  0.784  1.0
  Cu  Cu5  1  0.642  0.423  0.283  1.0
  Cu  Cu6  1  0.142  0.577  0.717  1.0
  Cu  Cu7  1  0.330  0.378  0.883  1.0
  Cu  Cu8  1  0.431  0.774  0.797  1.0
  Cu  Cu9  1  0.502  0.641  0.055  1.0
  Cu  Cu10  1  0.666  0.883  0.616  1.0
  Cu  Cu11  1  0.995  0.861  0.562  1.0
  Cu  Cu12  1  0.067  0.709  0.302  1.0
  Cu  Cu13  1  0.002  0.359  0.945  1.0
  Cu  Cu14  1  0.830  0.622  0.117  1.0
  Cu  Cu15  1  0.166  0.117  0.384  1.0
  Cu  Cu16  1  0.495  0.139  0.438  1.0
  Cu  Cu17  1  0.357  0.920  0.216  1.0
  Cu  Cu18  1  0.931  0.226  0.203  1.0
  Cu  Cu19  1  0.567  0.291  0.698  1.0
  Sn  Sn20  1  0.254  0.375  0.163  1.0
  Sn  Sn21  1  0.253  0.117  0.661  1.0
  Sn  Sn22  1  0.753  0.883  0.339  1.0
  Sn  Sn23  1  0.754  0.625  0.837  1.0
[/CIF]
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