The structure described by Ce5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to six equivalent Ce(2) atoms to form face-sharing CuCe6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1) and five equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5CuBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   9.616
_cell_length_c   9.616
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.110
_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  0.333  0.667  1.0
  Ce  Ce1  1  0.500  0.667  0.333  1.0
  Ce  Ce2  1  0.000  0.667  0.333  1.0
  Ce  Ce3  1  0.000  0.333  0.667  1.0
  Ce  Ce4  1  0.750  0.257  0.000  1.0
  Ce  Ce5  1  0.750  0.743  0.743  1.0
  Ce  Ce6  1  0.750  1.000  0.257  1.0
  Ce  Ce7  1  0.250  0.743  0.000  1.0
  Ce  Ce8  1  0.250  0.257  0.257  1.0
  Ce  Ce9  1  0.250  0.000  0.743  1.0
  Cu  Cu10  1  0.500  1.000  0.000  1.0
  Cu  Cu11  1  1.000  0.000  0.000  1.0
  Bi  Bi12  1  0.750  0.615  0.000  1.0
  Bi  Bi13  1  0.750  0.385  0.385  1.0
  Bi  Bi14  1  0.750  1.000  0.615  1.0
  Bi  Bi15  1  0.250  0.385  0.000  1.0
  Bi  Bi16  1  0.250  0.615  0.615  1.0
  Bi  Bi17  1  0.250  0.000  0.385  1.0
[/CIF]
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The structure described by Ce5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing CeCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to six equivalent Ce(2) atoms to form face-sharing CuCe6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1) and five equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5CuBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   9.616
_cell_length_c   9.616
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.110
_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  0.333  0.667  1.0
  Ce  Ce1  1  0.500  0.667  0.333  1.0
  Ce  Ce2  1  0.000  0.667  0.333  1.0
  Ce  Ce3  1  0.000  0.333  0.667  1.0
  Ce  Ce4  1  0.750  0.257  0.000  1.0
  Ce  Ce5  1  0.750  0.743  0.743  1.0
  Ce  Ce6  1  0.750  1.000  0.257  1.0
  Ce  Ce7  1  0.250  0.743  0.000  1.0
  Ce  Ce8  1  0.250  0.257  0.257  1.0
  Ce  Ce9  1  0.250  0.000  0.743  1.0
  Cu  Cu10  1  0.500  1.000  0.000  1.0
  Cu  Cu11  1  1.000  0.000  0.000  1.0
  Bi  Bi12  1  0.750  0.615  0.000  1.0
  Bi  Bi13  1  0.750  0.385  0.385  1.0
  Bi  Bi14  1  0.750  1.000  0.615  1.0
  Bi  Bi15  1  0.250  0.385  0.000  1.0
  Bi  Bi16  1  0.250  0.615  0.615  1.0
  Bi  Bi17  1  0.250  0.000  0.385  1.0
[/CIF]
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