The material described by CeCu4Sn crystallizes in the orthorhombic P2_12_12_1 space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Cu(3), three equivalent Cu(2), three equivalent Cu(4), and four equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Ce(1), one Cu(2), one Cu(4), two equivalent Cu(1), three equivalent Cu(3), and two equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(3), two equivalent Cu(4), and three equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(4), three equivalent Cu(1), and two equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 13-coordinate geometry to four equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.131
_cell_length_b   7.303
_cell_length_c   11.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.321
_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  0.162  0.678  0.993  1.0
  Ce  Ce1  1  0.662  0.322  0.507  1.0
  Ce  Ce2  1  0.338  0.178  0.007  1.0
  Ce  Ce3  1  0.838  0.822  0.493  1.0
  Cu  Cu4  1  0.068  0.958  0.804  1.0
  Cu  Cu5  1  0.932  0.542  0.304  1.0
  Cu  Cu6  1  0.568  0.042  0.696  1.0
  Cu  Cu7  1  0.854  0.639  0.748  1.0
  Cu  Cu8  1  0.612  0.859  0.885  1.0
  Cu  Cu9  1  0.858  0.027  0.040  1.0
  Cu  Cu10  1  0.354  0.361  0.752  1.0
  Cu  Cu11  1  0.142  0.473  0.540  1.0
  Cu  Cu12  1  0.388  0.641  0.385  1.0
  Cu  Cu13  1  0.642  0.527  0.960  1.0
  Cu  Cu14  1  0.646  0.139  0.252  1.0
  Cu  Cu15  1  0.146  0.861  0.248  1.0
  Cu  Cu16  1  0.358  0.973  0.460  1.0
  Cu  Cu17  1  0.432  0.458  0.196  1.0
  Cu  Cu18  1  0.888  0.359  0.115  1.0
  Cu  Cu19  1  0.112  0.141  0.615  1.0
  Sn  Sn20  1  0.637  0.790  0.182  1.0
  Sn  Sn21  1  0.363  0.710  0.682  1.0
  Sn  Sn22  1  0.137  0.210  0.318  1.0
  Sn  Sn23  1  0.863  0.290  0.818  1.0
[/CIF]
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The material described by CeCu4Sn crystallizes in the orthorhombic P2_12_12_1 space group. Ce(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Cu(3), three equivalent Cu(2), three equivalent Cu(4), and four equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Ce(1), one Cu(2), one Cu(4), two equivalent Cu(1), three equivalent Cu(3), and two equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), one Cu(3), two equivalent Cu(4), and three equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(4), three equivalent Cu(1), and two equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 13-coordinate geometry to four equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.131
_cell_length_b   7.303
_cell_length_c   11.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.321
_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  0.162  0.678  0.993  1.0
  Ce  Ce1  1  0.662  0.322  0.507  1.0
  Ce  Ce2  1  0.338  0.178  0.007  1.0
  Ce  Ce3  1  0.838  0.822  0.493  1.0
  Cu  Cu4  1  0.068  0.958  0.804  1.0
  Cu  Cu5  1  0.932  0.542  0.304  1.0
  Cu  Cu6  1  0.568  0.042  0.696  1.0
  Cu  Cu7  1  0.854  0.639  0.748  1.0
  Cu  Cu8  1  0.612  0.859  0.885  1.0
  Cu  Cu9  1  0.858  0.027  0.040  1.0
  Cu  Cu10  1  0.354  0.361  0.752  1.0
  Cu  Cu11  1  0.142  0.473  0.540  1.0
  Cu  Cu12  1  0.388  0.641  0.385  1.0
  Cu  Cu13  1  0.642  0.527  0.960  1.0
  Cu  Cu14  1  0.646  0.139  0.252  1.0
  Cu  Cu15  1  0.146  0.861  0.248  1.0
  Cu  Cu16  1  0.358  0.973  0.460  1.0
  Cu  Cu17  1  0.432  0.458  0.196  1.0
  Cu  Cu18  1  0.888  0.359  0.115  1.0
  Cu  Cu19  1  0.112  0.141  0.615  1.0
  Sn  Sn20  1  0.637  0.790  0.182  1.0
  Sn  Sn21  1  0.363  0.710  0.682  1.0
  Sn  Sn22  1  0.137  0.210  0.318  1.0
  Sn  Sn23  1  0.863  0.290  0.818  1.0
[/CIF]
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