The material structure described by Ce5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Cu(1) and five equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing CeCu2Sn5 pentagonal bipyramids. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Ce(1) atoms to form face-sharing CuCe6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2) and five equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   9.479
_cell_length_c   9.477
_cell_angle_alpha   120.007
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.739
_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  0.750  0.265  0.000  1.0
  Ce  Ce1  1  0.750  0.735  0.735  1.0
  Ce  Ce2  1  0.750  0.000  0.265  1.0
  Ce  Ce3  1  0.250  0.735  0.000  1.0
  Ce  Ce4  1  0.250  0.265  0.265  1.0
  Ce  Ce5  1  0.250  1.000  0.735  1.0
  Ce  Ce6  1  0.500  0.333  0.667  1.0
  Ce  Ce7  1  0.500  0.667  0.333  1.0
  Ce  Ce8  1  0.000  0.667  0.333  1.0
  Ce  Ce9  1  0.000  0.333  0.667  1.0
  Cu  Cu10  1  0.500  1.000  0.000  1.0
  Cu  Cu11  1  1.000  0.000  0.000  1.0
  Sn  Sn12  1  0.750  0.616  0.000  1.0
  Sn  Sn13  1  0.750  0.384  0.384  1.0
  Sn  Sn14  1  0.750  0.000  0.616  1.0
  Sn  Sn15  1  0.250  0.384  0.000  1.0
  Sn  Sn16  1  0.250  0.616  0.616  1.0
  Sn  Sn17  1  0.250  1.000  0.384  1.0
[/CIF]
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The material structure described by Ce5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Cu(1) and five equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing CeCu2Sn5 pentagonal bipyramids. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Ce(1) atoms to form face-sharing CuCe6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2) and five equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   9.479
_cell_length_c   9.477
_cell_angle_alpha   120.007
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.739
_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  0.750  0.265  0.000  1.0
  Ce  Ce1  1  0.750  0.735  0.735  1.0
  Ce  Ce2  1  0.750  0.000  0.265  1.0
  Ce  Ce3  1  0.250  0.735  0.000  1.0
  Ce  Ce4  1  0.250  0.265  0.265  1.0
  Ce  Ce5  1  0.250  1.000  0.735  1.0
  Ce  Ce6  1  0.500  0.333  0.667  1.0
  Ce  Ce7  1  0.500  0.667  0.333  1.0
  Ce  Ce8  1  0.000  0.667  0.333  1.0
  Ce  Ce9  1  0.000  0.333  0.667  1.0
  Cu  Cu10  1  0.500  1.000  0.000  1.0
  Cu  Cu11  1  1.000  0.000  0.000  1.0
  Sn  Sn12  1  0.750  0.616  0.000  1.0
  Sn  Sn13  1  0.750  0.384  0.384  1.0
  Sn  Sn14  1  0.750  0.000  0.616  1.0
  Sn  Sn15  1  0.250  0.384  0.000  1.0
  Sn  Sn16  1  0.250  0.616  0.616  1.0
  Sn  Sn17  1  0.250  1.000  0.384  1.0
[/CIF]
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