The material structure described by Ce5Sn3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form corner-sharing CeSn6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to two equivalent Sn(1) and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted q6 geometry to two equivalent Ce(1) and eight equivalent Ce(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), six equivalent Ce(2), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Ce5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.339
_cell_length_b   8.339
_cell_length_c   9.008
_cell_angle_alpha   117.572
_cell_angle_beta   117.572
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.623
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.982  0.829  0.312  1.0
  Ce  Ce3  1  0.329  0.482  0.312  1.0
  Ce  Ce4  1  0.829  0.329  0.312  1.0
  Ce  Ce5  1  0.482  0.982  0.312  1.0
  Ce  Ce6  1  0.018  0.171  0.688  1.0
  Ce  Ce7  1  0.671  0.518  0.688  1.0
  Ce  Ce8  1  0.171  0.671  0.688  1.0
  Ce  Ce9  1  0.518  0.018  0.688  1.0
  Sn  Sn10  1  0.750  0.750  0.500  1.0
  Sn  Sn11  1  0.250  0.250  0.500  1.0
  Sn  Sn12  1  0.628  0.872  0.000  1.0
  Sn  Sn13  1  0.372  0.128  0.000  1.0
  Sn  Sn14  1  0.872  0.372  0.000  1.0
  Sn  Sn15  1  0.128  0.628  0.000  1.0
[/CIF]
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The material structure described by Ce5Sn3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form corner-sharing CeSn6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to two equivalent Sn(1) and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted q6 geometry to two equivalent Ce(1) and eight equivalent Ce(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), six equivalent Ce(2), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Ce5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.339
_cell_length_b   8.339
_cell_length_c   9.008
_cell_angle_alpha   117.572
_cell_angle_beta   117.572
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.623
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.982  0.829  0.312  1.0
  Ce  Ce3  1  0.329  0.482  0.312  1.0
  Ce  Ce4  1  0.829  0.329  0.312  1.0
  Ce  Ce5  1  0.482  0.982  0.312  1.0
  Ce  Ce6  1  0.018  0.171  0.688  1.0
  Ce  Ce7  1  0.671  0.518  0.688  1.0
  Ce  Ce8  1  0.171  0.671  0.688  1.0
  Ce  Ce9  1  0.518  0.018  0.688  1.0
  Sn  Sn10  1  0.750  0.750  0.500  1.0
  Sn  Sn11  1  0.250  0.250  0.500  1.0
  Sn  Sn12  1  0.628  0.872  0.000  1.0
  Sn  Sn13  1  0.372  0.128  0.000  1.0
  Sn  Sn14  1  0.872  0.372  0.000  1.0
  Sn  Sn15  1  0.128  0.628  0.000  1.0
[/CIF]
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