The crystal structure described by Ce3Sn3Si2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Sn(2) and six equivalent Si(1) atoms to form face-sharing CeSi6Sn6 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to three equivalent Sn(1), three equivalent Sn(2), and three equivalent Si(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ce(2) atoms to form edge-sharing SnCe6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ce3Si2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.518
_cell_length_b   4.518
_cell_length_c   23.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   420.590
_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  0.333  0.667  0.250  1.0
  Ce  Ce1  1  0.667  0.333  0.750  1.0
  Ce  Ce2  1  0.333  0.667  0.076  1.0
  Ce  Ce3  1  0.667  0.333  0.924  1.0
  Ce  Ce4  1  0.667  0.333  0.576  1.0
  Ce  Ce5  1  0.333  0.667  0.424  1.0
  Si  Si6  1  0.000  0.000  0.168  1.0
  Si  Si7  1  0.000  0.000  0.832  1.0
  Si  Si8  1  0.000  0.000  0.668  1.0
  Si  Si9  1  0.000  0.000  0.332  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.333  0.667  0.659  1.0
  Sn  Sn13  1  0.667  0.333  0.341  1.0
  Sn  Sn14  1  0.667  0.333  0.159  1.0
  Sn  Sn15  1  0.333  0.667  0.841  1.0
[/CIF]
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The crystal structure described by Ce3Sn3Si2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Sn(2) and six equivalent Si(1) atoms to form face-sharing CeSi6Sn6 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to three equivalent Sn(1), three equivalent Sn(2), and three equivalent Si(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ce(2) atoms to form edge-sharing SnCe6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ce3Si2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.518
_cell_length_b   4.518
_cell_length_c   23.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   420.590
_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  0.333  0.667  0.250  1.0
  Ce  Ce1  1  0.667  0.333  0.750  1.0
  Ce  Ce2  1  0.333  0.667  0.076  1.0
  Ce  Ce3  1  0.667  0.333  0.924  1.0
  Ce  Ce4  1  0.667  0.333  0.576  1.0
  Ce  Ce5  1  0.333  0.667  0.424  1.0
  Si  Si6  1  0.000  0.000  0.168  1.0
  Si  Si7  1  0.000  0.000  0.832  1.0
  Si  Si8  1  0.000  0.000  0.668  1.0
  Si  Si9  1  0.000  0.000  0.332  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.333  0.667  0.659  1.0
  Sn  Sn13  1  0.667  0.333  0.341  1.0
  Sn  Sn14  1  0.667  0.333  0.159  1.0
  Sn  Sn15  1  0.333  0.667  0.841  1.0
[/CIF]
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