The compound described by CeCu4Sn crystallizes in the orthorhombic P2_12_12_1 space group. Ce(1) is bonded in a 14-coordinate geometry to two equivalent Cu(3), two equivalent Cu(4), three equivalent Cu(1), four equivalent Cu(2), and three equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(3), and one Sn(1) atom. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to four equivalent Ce(1), one Cu(1), one Cu(3), one 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(1), two equivalent Cu(4), and one Sn(1) atom. In the fourth Cu site, Cu(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), one Cu(1), one Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms. Sn(1) 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 Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   8.513
_cell_length_c   10.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.087
_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  0.979  0.494  0.687  1.0
  Ce  Ce1  1  0.479  0.006  0.313  1.0
  Ce  Ce2  1  0.021  0.994  0.813  1.0
  Ce  Ce3  1  0.521  0.506  0.187  1.0
  Cu  Cu4  1  0.799  0.832  0.567  1.0
  Cu  Cu5  1  0.701  0.168  0.067  1.0
  Cu  Cu6  1  0.299  0.668  0.433  1.0
  Cu  Cu7  1  0.510  0.408  0.493  1.0
  Cu  Cu8  1  0.488  0.635  0.638  1.0
  Cu  Cu9  1  0.529  0.867  0.761  1.0
  Cu  Cu10  1  0.010  0.092  0.507  1.0
  Cu  Cu11  1  0.971  0.133  0.261  1.0
  Cu  Cu12  1  0.012  0.365  0.138  1.0
  Cu  Cu13  1  0.471  0.367  0.739  1.0
  Cu  Cu14  1  0.490  0.908  0.007  1.0
  Cu  Cu15  1  0.990  0.592  0.993  1.0
  Cu  Cu16  1  0.029  0.633  0.239  1.0
  Cu  Cu17  1  0.201  0.332  0.933  1.0
  Cu  Cu18  1  0.512  0.135  0.862  1.0
  Cu  Cu19  1  0.988  0.865  0.362  1.0
  Sn  Sn20  1  0.492  0.617  0.894  1.0
  Sn  Sn21  1  0.008  0.383  0.394  1.0
  Sn  Sn22  1  0.992  0.883  0.106  1.0
  Sn  Sn23  1  0.508  0.117  0.606  1.0
[/CIF]
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The compound described by CeCu4Sn crystallizes in the orthorhombic P2_12_12_1 space group. Ce(1) is bonded in a 14-coordinate geometry to two equivalent Cu(3), two equivalent Cu(4), three equivalent Cu(1), four equivalent Cu(2), and three equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ce(1), one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(3), and one Sn(1) atom. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to four equivalent Ce(1), one Cu(1), one Cu(3), one 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(1), two equivalent Cu(4), and one Sn(1) atom. In the fourth Cu site, Cu(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), one Cu(1), one Cu(2), two equivalent Cu(3), and two equivalent Sn(1) atoms. Sn(1) 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 Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCu4Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   8.513
_cell_length_c   10.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.087
_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  0.979  0.494  0.687  1.0
  Ce  Ce1  1  0.479  0.006  0.313  1.0
  Ce  Ce2  1  0.021  0.994  0.813  1.0
  Ce  Ce3  1  0.521  0.506  0.187  1.0
  Cu  Cu4  1  0.799  0.832  0.567  1.0
  Cu  Cu5  1  0.701  0.168  0.067  1.0
  Cu  Cu6  1  0.299  0.668  0.433  1.0
  Cu  Cu7  1  0.510  0.408  0.493  1.0
  Cu  Cu8  1  0.488  0.635  0.638  1.0
  Cu  Cu9  1  0.529  0.867  0.761  1.0
  Cu  Cu10  1  0.010  0.092  0.507  1.0
  Cu  Cu11  1  0.971  0.133  0.261  1.0
  Cu  Cu12  1  0.012  0.365  0.138  1.0
  Cu  Cu13  1  0.471  0.367  0.739  1.0
  Cu  Cu14  1  0.490  0.908  0.007  1.0
  Cu  Cu15  1  0.990  0.592  0.993  1.0
  Cu  Cu16  1  0.029  0.633  0.239  1.0
  Cu  Cu17  1  0.201  0.332  0.933  1.0
  Cu  Cu18  1  0.512  0.135  0.862  1.0
  Cu  Cu19  1  0.988  0.865  0.362  1.0
  Sn  Sn20  1  0.492  0.617  0.894  1.0
  Sn  Sn21  1  0.008  0.383  0.394  1.0
  Sn  Sn22  1  0.992  0.883  0.106  1.0
  Sn  Sn23  1  0.508  0.117  0.606  1.0
[/CIF]
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