The compound described by Ce4Ni3Bi8 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to two equivalent Ni(2), two equivalent Bi(1), two equivalent Bi(2), and five equivalent Bi(3) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ni(1,3); two equivalent Bi(1); two equivalent Bi(2); and four equivalent Bi(4) atoms to form a mixture of distorted corner, edge, and face-sharing CeNi4Bi8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1,3) is bonded in a distorted body-centered cubic geometry to four equivalent Ce(2) and four equivalent Bi(4) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Ce(1) and four equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to five equivalent Ce(1) and two equivalent Ni(2) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to four equivalent Ce(2) and four equivalent Ni(1,3) atoms. is represented by the CIF file [CIF]
data_Ce4Ni3Bi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.563
_cell_length_b   4.563
_cell_length_c   19.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.973
_cell_formula_units_Z   1
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  0.000  0.112  1.0
  Ce  Ce1  1  0.500  0.000  0.616  1.0
  Ce  Ce2  1  0.000  0.500  0.888  1.0
  Ce  Ce3  1  0.000  0.500  0.384  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.500  0.500  0.751  1.0
  Bi  Bi8  1  0.500  0.500  0.249  1.0
  Bi  Bi9  1  0.000  0.000  0.752  1.0
  Bi  Bi10  1  0.000  0.000  0.248  1.0
  Bi  Bi11  1  0.500  0.000  0.933  1.0
  Bi  Bi12  1  0.500  0.000  0.431  1.0
  Bi  Bi13  1  0.000  0.500  0.067  1.0
  Bi  Bi14  1  0.000  0.500  0.569  1.0
[/CIF]
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The compound described by Ce4Ni3Bi8 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to two equivalent Ni(2), two equivalent Bi(1), two equivalent Bi(2), and five equivalent Bi(3) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ni(1,3); two equivalent Bi(1); two equivalent Bi(2); and four equivalent Bi(4) atoms to form a mixture of distorted corner, edge, and face-sharing CeNi4Bi8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1,3) is bonded in a distorted body-centered cubic geometry to four equivalent Ce(2) and four equivalent Bi(4) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to four equivalent Ce(1) and four equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to five equivalent Ce(1) and two equivalent Ni(2) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to four equivalent Ce(2) and four equivalent Ni(1,3) atoms. is represented by the CIF file [CIF]
data_Ce4Ni3Bi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.563
_cell_length_b   4.563
_cell_length_c   19.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.973
_cell_formula_units_Z   1
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  0.000  0.112  1.0
  Ce  Ce1  1  0.500  0.000  0.616  1.0
  Ce  Ce2  1  0.000  0.500  0.888  1.0
  Ce  Ce3  1  0.000  0.500  0.384  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.500  0.500  0.751  1.0
  Bi  Bi8  1  0.500  0.500  0.249  1.0
  Bi  Bi9  1  0.000  0.000  0.752  1.0
  Bi  Bi10  1  0.000  0.000  0.248  1.0
  Bi  Bi11  1  0.500  0.000  0.933  1.0
  Bi  Bi12  1  0.500  0.000  0.431  1.0
  Bi  Bi13  1  0.000  0.500  0.067  1.0
  Bi  Bi14  1  0.000  0.500  0.569  1.0
[/CIF]
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