The compound described by La21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent La sites. In the first La site, La(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 La site, La(2) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the third La site, La(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 La(1), two equivalent La(2), and two equivalent Fe(1) atoms to form distorted CLa4Fe2 octahedra that share corners with two equivalent Bi(2)La12 cuboctahedra and edges with five equivalent C(1)La4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one La(3), four equivalent La(1), and four equivalent La(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent La(1) atoms to form BiLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_La21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.664
_cell_length_b   11.664
_cell_length_c   11.664
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1122.071
_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
  La  La0  1  0.158  0.842  0.500  1.0
  La  La1  1  0.842  0.500  0.500  1.0
  La  La2  1  0.137  0.588  0.137  1.0
  La  La3  1  0.158  0.500  0.500  1.0
  La  La4  1  0.500  0.842  0.158  1.0
  La  La5  1  0.412  0.863  0.863  1.0
  La  La6  1  0.137  0.137  0.137  1.0
  La  La7  1  0.842  0.500  0.158  1.0
  La  La8  1  0.842  0.158  0.500  1.0
  La  La9  1  0.863  0.863  0.412  1.0
  La  La10  1  0.500  0.842  0.500  1.0
  La  La11  1  0.863  0.863  0.863  1.0
  La  La12  1  0.500  0.500  0.158  1.0
  La  La13  1  0.500  0.158  0.500  1.0
  La  La14  1  0.588  0.137  0.137  1.0
  La  La15  1  0.863  0.412  0.863  1.0
  La  La16  1  0.500  0.500  0.842  1.0
  La  La17  1  0.500  0.158  0.842  1.0
  La  La18  1  0.137  0.137  0.588  1.0
  La  La19  1  0.158  0.500  0.842  1.0
  La  La20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.696  0.696  0.696  1.0
  Fe  Fe22  1  0.304  0.304  0.304  1.0
  Fe  Fe23  1  0.696  0.911  0.696  1.0
  Fe  Fe24  1  0.089  0.304  0.304  1.0
  Fe  Fe25  1  0.911  0.696  0.696  1.0
  Fe  Fe26  1  0.304  0.304  0.089  1.0
  Fe  Fe27  1  0.304  0.089  0.304  1.0
  Fe  Fe28  1  0.696  0.696  0.911  1.0
  Bi  Bi29  1  0.209  0.209  0.791  1.0
  Bi  Bi30  1  0.791  0.209  0.791  1.0
  Bi  Bi31  1  0.209  0.791  0.791  1.0
  Bi  Bi32  1  0.791  0.209  0.209  1.0
  Bi  Bi33  1  0.500  0.500  0.500  1.0
  Bi  Bi34  1  0.209  0.791  0.209  1.0
  Bi  Bi35  1  0.791  0.791  0.209  1.0
  C  C36  1  0.609  0.609  0.891  1.0
  C  C37  1  0.891  0.609  0.891  1.0
  C  C38  1  0.391  0.109  0.109  1.0
  C  C39  1  0.609  0.891  0.891  1.0
  C  C40  1  0.109  0.109  0.391  1.0
  C  C41  1  0.109  0.391  0.391  1.0
  C  C42  1  0.391  0.391  0.109  1.0
  C  C43  1  0.391  0.109  0.391  1.0
  C  C44  1  0.891  0.609  0.609  1.0
  C  C45  1  0.109  0.391  0.109  1.0
  C  C46  1  0.891  0.891  0.609  1.0
  C  C47  1  0.609  0.891  0.609  1.0
[/CIF]
.
The compound described by La21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent La sites. In the first La site, La(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 La site, La(2) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the third La site, La(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 La(1), two equivalent La(2), and two equivalent Fe(1) atoms to form distorted CLa4Fe2 octahedra that share corners with two equivalent Bi(2)La12 cuboctahedra and edges with five equivalent C(1)La4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one La(3), four equivalent La(1), and four equivalent La(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent La(1) atoms to form BiLa12 cuboctahedra that share corners with twenty-four equivalent C(1)La4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_La21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.664
_cell_length_b   11.664
_cell_length_c   11.664
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1122.071
_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
  La  La0  1  0.158  0.842  0.500  1.0
  La  La1  1  0.842  0.500  0.500  1.0
  La  La2  1  0.137  0.588  0.137  1.0
  La  La3  1  0.158  0.500  0.500  1.0
  La  La4  1  0.500  0.842  0.158  1.0
  La  La5  1  0.412  0.863  0.863  1.0
  La  La6  1  0.137  0.137  0.137  1.0
  La  La7  1  0.842  0.500  0.158  1.0
  La  La8  1  0.842  0.158  0.500  1.0
  La  La9  1  0.863  0.863  0.412  1.0
  La  La10  1  0.500  0.842  0.500  1.0
  La  La11  1  0.863  0.863  0.863  1.0
  La  La12  1  0.500  0.500  0.158  1.0
  La  La13  1  0.500  0.158  0.500  1.0
  La  La14  1  0.588  0.137  0.137  1.0
  La  La15  1  0.863  0.412  0.863  1.0
  La  La16  1  0.500  0.500  0.842  1.0
  La  La17  1  0.500  0.158  0.842  1.0
  La  La18  1  0.137  0.137  0.588  1.0
  La  La19  1  0.158  0.500  0.842  1.0
  La  La20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.696  0.696  0.696  1.0
  Fe  Fe22  1  0.304  0.304  0.304  1.0
  Fe  Fe23  1  0.696  0.911  0.696  1.0
  Fe  Fe24  1  0.089  0.304  0.304  1.0
  Fe  Fe25  1  0.911  0.696  0.696  1.0
  Fe  Fe26  1  0.304  0.304  0.089  1.0
  Fe  Fe27  1  0.304  0.089  0.304  1.0
  Fe  Fe28  1  0.696  0.696  0.911  1.0
  Bi  Bi29  1  0.209  0.209  0.791  1.0
  Bi  Bi30  1  0.791  0.209  0.791  1.0
  Bi  Bi31  1  0.209  0.791  0.791  1.0
  Bi  Bi32  1  0.791  0.209  0.209  1.0
  Bi  Bi33  1  0.500  0.500  0.500  1.0
  Bi  Bi34  1  0.209  0.791  0.209  1.0
  Bi  Bi35  1  0.791  0.791  0.209  1.0
  C  C36  1  0.609  0.609  0.891  1.0
  C  C37  1  0.891  0.609  0.891  1.0
  C  C38  1  0.391  0.109  0.109  1.0
  C  C39  1  0.609  0.891  0.891  1.0
  C  C40  1  0.109  0.109  0.391  1.0
  C  C41  1  0.109  0.391  0.391  1.0
  C  C42  1  0.391  0.391  0.109  1.0
  C  C43  1  0.391  0.109  0.391  1.0
  C  C44  1  0.891  0.609  0.609  1.0
  C  C45  1  0.109  0.391  0.109  1.0
  C  C46  1  0.891  0.891  0.609  1.0
  C  C47  1  0.609  0.891  0.609  1.0
[/CIF]
.