The material described by Ce21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Bi(2), and two equivalent Bi(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the third Ce site, Ce(3) is bonded in an octahedral geometry to six equivalent Bi(1) atoms. Fe(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Fe(1) atoms to form distorted CCe4Fe2 octahedra that share corners with two equivalent Bi(2)Ce12 cuboctahedra and edges with five equivalent C(1)Ce4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ce(3), four equivalent Ce(1), and four equivalent Ce(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent Ce(1) atoms to form BiCe12 cuboctahedra that share corners with twenty-four equivalent C(1)Ce4Fe2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF file [CIF]
data_Ce21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.397
_cell_length_b   11.398
_cell_length_c   11.397
_cell_angle_alpha   59.985
_cell_angle_beta   60.021
_cell_angle_gamma   60.022
_symmetry_Int_Tables_number   1
_cell_volume   1047.050
_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  0.000  0.343  0.657  1.0
  Ce  Ce1  1  0.343  0.000  1.000  1.0
  Ce  Ce2  1  0.000  1.000  0.657  1.0
  Ce  Ce3  1  0.084  0.639  0.639  1.0
  Ce  Ce4  1  0.343  0.657  0.000  1.0
  Ce  Ce5  1  0.000  0.343  0.000  1.0
  Ce  Ce6  1  0.361  0.361  0.361  1.0
  Ce  Ce7  1  0.361  0.361  0.916  1.0
  Ce  Ce8  1  0.000  0.657  0.000  1.0
  Ce  Ce9  1  1.000  0.657  0.343  1.0
  Ce  Ce10  1  0.657  0.343  0.000  1.0
  Ce  Ce11  1  0.657  0.000  0.343  1.0
  Ce  Ce12  1  0.657  0.000  0.000  1.0
  Ce  Ce13  1  1.000  0.000  0.343  1.0
  Ce  Ce14  1  0.361  0.916  0.361  1.0
  Ce  Ce15  1  0.639  0.084  0.639  1.0
  Ce  Ce16  1  0.916  0.361  0.361  1.0
  Ce  Ce17  1  0.343  1.000  0.657  1.0
  Ce  Ce18  1  0.639  0.639  0.639  1.0
  Ce  Ce19  1  0.639  0.639  0.084  1.0
  Ce  Ce20  1  0.500  0.500  0.500  1.0
  Fe  Fe21  1  0.194  0.419  0.194  1.0
  Fe  Fe22  1  0.806  0.806  0.581  1.0
  Fe  Fe23  1  0.581  0.806  0.806  1.0
  Fe  Fe24  1  0.419  0.194  0.194  1.0
  Fe  Fe25  1  0.806  0.806  0.806  1.0
  Fe  Fe26  1  0.194  0.194  0.194  1.0
  Fe  Fe27  1  0.194  0.194  0.419  1.0
  Fe  Fe28  1  0.806  0.581  0.806  1.0
  Bi  Bi29  1  0.708  0.708  0.292  1.0
  Bi  Bi30  1  0.708  0.292  0.708  1.0
  Bi  Bi31  1  0.292  0.292  0.708  1.0
  Bi  Bi32  1  0.292  0.708  0.292  1.0
  Bi  Bi33  1  0.292  0.708  0.708  1.0
  Bi  Bi34  1  0.708  0.292  0.292  1.0
  Bi  Bi35  1  1.000  1.000  0.000  1.0
  C  C36  1  0.604  0.604  0.896  1.0
  C  C37  1  0.896  0.604  0.896  1.0
  C  C38  1  0.396  0.104  0.396  1.0
  C  C39  1  0.104  0.396  0.104  1.0
  C  C40  1  0.104  0.104  0.396  1.0
  C  C41  1  0.604  0.896  0.604  1.0
  C  C42  1  0.896  0.604  0.604  1.0
  C  C43  1  0.604  0.896  0.896  1.0
  C  C44  1  0.896  0.896  0.604  1.0
  C  C45  1  0.396  0.396  0.104  1.0
  C  C46  1  0.104  0.396  0.396  1.0
  C  C47  1  0.396  0.104  0.104  1.0
[/CIF]
.
The material described by Ce21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Bi(2), and two equivalent Bi(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the third Ce site, Ce(3) is bonded in an octahedral geometry to six equivalent Bi(1) atoms. Fe(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Fe(1) atoms to form distorted CCe4Fe2 octahedra that share corners with two equivalent Bi(2)Ce12 cuboctahedra and edges with five equivalent C(1)Ce4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ce(3), four equivalent Ce(1), and four equivalent Ce(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent Ce(1) atoms to form BiCe12 cuboctahedra that share corners with twenty-four equivalent C(1)Ce4Fe2 octahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF file [CIF]
data_Ce21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.397
_cell_length_b   11.398
_cell_length_c   11.397
_cell_angle_alpha   59.985
_cell_angle_beta   60.021
_cell_angle_gamma   60.022
_symmetry_Int_Tables_number   1
_cell_volume   1047.050
_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  0.000  0.343  0.657  1.0
  Ce  Ce1  1  0.343  0.000  1.000  1.0
  Ce  Ce2  1  0.000  1.000  0.657  1.0
  Ce  Ce3  1  0.084  0.639  0.639  1.0
  Ce  Ce4  1  0.343  0.657  0.000  1.0
  Ce  Ce5  1  0.000  0.343  0.000  1.0
  Ce  Ce6  1  0.361  0.361  0.361  1.0
  Ce  Ce7  1  0.361  0.361  0.916  1.0
  Ce  Ce8  1  0.000  0.657  0.000  1.0
  Ce  Ce9  1  1.000  0.657  0.343  1.0
  Ce  Ce10  1  0.657  0.343  0.000  1.0
  Ce  Ce11  1  0.657  0.000  0.343  1.0
  Ce  Ce12  1  0.657  0.000  0.000  1.0
  Ce  Ce13  1  1.000  0.000  0.343  1.0
  Ce  Ce14  1  0.361  0.916  0.361  1.0
  Ce  Ce15  1  0.639  0.084  0.639  1.0
  Ce  Ce16  1  0.916  0.361  0.361  1.0
  Ce  Ce17  1  0.343  1.000  0.657  1.0
  Ce  Ce18  1  0.639  0.639  0.639  1.0
  Ce  Ce19  1  0.639  0.639  0.084  1.0
  Ce  Ce20  1  0.500  0.500  0.500  1.0
  Fe  Fe21  1  0.194  0.419  0.194  1.0
  Fe  Fe22  1  0.806  0.806  0.581  1.0
  Fe  Fe23  1  0.581  0.806  0.806  1.0
  Fe  Fe24  1  0.419  0.194  0.194  1.0
  Fe  Fe25  1  0.806  0.806  0.806  1.0
  Fe  Fe26  1  0.194  0.194  0.194  1.0
  Fe  Fe27  1  0.194  0.194  0.419  1.0
  Fe  Fe28  1  0.806  0.581  0.806  1.0
  Bi  Bi29  1  0.708  0.708  0.292  1.0
  Bi  Bi30  1  0.708  0.292  0.708  1.0
  Bi  Bi31  1  0.292  0.292  0.708  1.0
  Bi  Bi32  1  0.292  0.708  0.292  1.0
  Bi  Bi33  1  0.292  0.708  0.708  1.0
  Bi  Bi34  1  0.708  0.292  0.292  1.0
  Bi  Bi35  1  1.000  1.000  0.000  1.0
  C  C36  1  0.604  0.604  0.896  1.0
  C  C37  1  0.896  0.604  0.896  1.0
  C  C38  1  0.396  0.104  0.396  1.0
  C  C39  1  0.104  0.396  0.104  1.0
  C  C40  1  0.104  0.104  0.396  1.0
  C  C41  1  0.604  0.896  0.604  1.0
  C  C42  1  0.896  0.604  0.604  1.0
  C  C43  1  0.604  0.896  0.896  1.0
  C  C44  1  0.896  0.896  0.604  1.0
  C  C45  1  0.396  0.396  0.104  1.0
  C  C46  1  0.104  0.396  0.396  1.0
  C  C47  1  0.396  0.104  0.104  1.0
[/CIF]
.