The structure described by Ce3Sn5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one Sn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(4) atoms. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(3), and four equivalent Sn(4) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Ce(1), four equivalent Ce(3), one Sn(1), one Sn(2), and two equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Sn(1), one Sn(3), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Sn(1), one Sn(2), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Ce3Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   10.533
_cell_angle_alpha   90.108
_cell_angle_beta   90.109
_cell_angle_gamma   102.608
_symmetry_Int_Tables_number   1
_cell_volume   452.760
_cell_formula_units_Z   2
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  0.635  0.635  0.252  1.0
  Ce  Ce1  1  0.365  0.365  0.748  1.0
  Ce  Ce2  1  0.203  0.797  0.500  1.0
  Ce  Ce3  1  0.202  0.798  1.000  1.0
  Ce  Ce4  1  0.797  0.203  0.500  1.0
  Ce  Ce5  1  0.798  0.202  1.000  1.0
  Sn  Sn6  1  0.025  0.025  0.250  1.0
  Sn  Sn7  1  0.975  0.975  0.750  1.0
  Sn  Sn8  1  0.320  0.320  0.047  1.0
  Sn  Sn9  1  0.680  0.680  0.953  1.0
  Sn  Sn10  1  0.316  0.316  0.452  1.0
  Sn  Sn11  1  0.684  0.684  0.548  1.0
  Sn  Sn12  1  0.493  0.072  0.250  1.0
  Sn  Sn13  1  0.928  0.507  0.750  1.0
  Sn  Sn14  1  0.507  0.928  0.750  1.0
  Sn  Sn15  1  0.072  0.493  0.250  1.0
[/CIF]
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The structure described by Ce3Sn5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one Sn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(4) atoms. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(3), and four equivalent Sn(4) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Ce(1), four equivalent Ce(3), one Sn(1), one Sn(2), and two equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Sn(1), one Sn(3), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Sn(1), one Sn(2), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Ce3Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   10.533
_cell_angle_alpha   90.108
_cell_angle_beta   90.109
_cell_angle_gamma   102.608
_symmetry_Int_Tables_number   1
_cell_volume   452.760
_cell_formula_units_Z   2
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  0.635  0.635  0.252  1.0
  Ce  Ce1  1  0.365  0.365  0.748  1.0
  Ce  Ce2  1  0.203  0.797  0.500  1.0
  Ce  Ce3  1  0.202  0.798  1.000  1.0
  Ce  Ce4  1  0.797  0.203  0.500  1.0
  Ce  Ce5  1  0.798  0.202  1.000  1.0
  Sn  Sn6  1  0.025  0.025  0.250  1.0
  Sn  Sn7  1  0.975  0.975  0.750  1.0
  Sn  Sn8  1  0.320  0.320  0.047  1.0
  Sn  Sn9  1  0.680  0.680  0.953  1.0
  Sn  Sn10  1  0.316  0.316  0.452  1.0
  Sn  Sn11  1  0.684  0.684  0.548  1.0
  Sn  Sn12  1  0.493  0.072  0.250  1.0
  Sn  Sn13  1  0.928  0.507  0.750  1.0
  Sn  Sn14  1  0.507  0.928  0.750  1.0
  Sn  Sn15  1  0.072  0.493  0.250  1.0
[/CIF]
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