The material described by Ce8Re13B12 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ce(2), three equivalent Re(3), six equivalent Re(2), and six equivalent B(2) atoms. In the second Ce site, Ce(2) is bonded in a 18-coordinate geometry to one Ce(1), two equivalent Ce(2), one Re(1), four equivalent Re(2), four equivalent Re(3), two equivalent B(2), and four equivalent B(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a cuboctahedral geometry to six equivalent Ce(2) and six equivalent Re(3) atoms. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Re site, Re(3) is bonded in a 2-coordinate geometry to one Ce(1), four equivalent Ce(2), one Re(1), and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Re(2), one B(1), and two equivalent B(2) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2), two equivalent Re(2), two equivalent Re(3), and one B(2) atom. is represented by the CIF card [CIF]
data_Ce8Re13B12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.841
_cell_length_b   7.841
_cell_length_c   7.841
_cell_angle_alpha   85.612
_cell_angle_beta   85.612
_cell_angle_gamma   85.612
_symmetry_Int_Tables_number   1
_cell_volume   478.058
_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  0.645  0.645  0.645  1.0
  Ce  Ce1  1  0.355  0.355  0.355  1.0
  Ce  Ce2  1  0.184  0.184  0.685  1.0
  Ce  Ce3  1  0.685  0.184  0.184  1.0
  Ce  Ce4  1  0.184  0.685  0.184  1.0
  Ce  Ce5  1  0.816  0.816  0.315  1.0
  Ce  Ce6  1  0.315  0.816  0.816  1.0
  Ce  Ce7  1  0.816  0.315  0.816  1.0
  Re  Re8  1  0.000  0.000  0.000  1.0
  Re  Re9  1  0.595  0.067  0.595  1.0
  Re  Re10  1  0.595  0.595  0.067  1.0
  Re  Re11  1  0.067  0.595  0.595  1.0
  Re  Re12  1  0.405  0.933  0.405  1.0
  Re  Re13  1  0.405  0.405  0.933  1.0
  Re  Re14  1  0.933  0.405  0.405  1.0
  Re  Re15  1  0.923  0.923  0.670  1.0
  Re  Re16  1  0.670  0.923  0.923  1.0
  Re  Re17  1  0.923  0.670  0.923  1.0
  Re  Re18  1  0.077  0.077  0.330  1.0
  Re  Re19  1  0.330  0.077  0.077  1.0
  Re  Re20  1  0.077  0.330  0.077  1.0
  B  B21  1  0.153  0.847  0.500  1.0
  B  B22  1  0.500  0.153  0.847  1.0
  B  B23  1  0.847  0.500  0.153  1.0
  B  B24  1  0.500  0.847  0.153  1.0
  B  B25  1  0.153  0.500  0.847  1.0
  B  B26  1  0.847  0.153  0.500  1.0
  B  B27  1  0.671  0.500  0.329  1.0
  B  B28  1  0.329  0.671  0.500  1.0
  B  B29  1  0.500  0.329  0.671  1.0
  B  B30  1  0.329  0.500  0.671  1.0
  B  B31  1  0.671  0.329  0.500  1.0
  B  B32  1  0.500  0.671  0.329  1.0
[/CIF]
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The material described by Ce8Re13B12 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ce(2), three equivalent Re(3), six equivalent Re(2), and six equivalent B(2) atoms. In the second Ce site, Ce(2) is bonded in a 18-coordinate geometry to one Ce(1), two equivalent Ce(2), one Re(1), four equivalent Re(2), four equivalent Re(3), two equivalent B(2), and four equivalent B(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a cuboctahedral geometry to six equivalent Ce(2) and six equivalent Re(3) atoms. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Re site, Re(3) is bonded in a 2-coordinate geometry to one Ce(1), four equivalent Ce(2), one Re(1), and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Re(2), one B(1), and two equivalent B(2) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2), two equivalent Re(2), two equivalent Re(3), and one B(2) atom. is represented by the CIF card [CIF]
data_Ce8Re13B12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.841
_cell_length_b   7.841
_cell_length_c   7.841
_cell_angle_alpha   85.612
_cell_angle_beta   85.612
_cell_angle_gamma   85.612
_symmetry_Int_Tables_number   1
_cell_volume   478.058
_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  0.645  0.645  0.645  1.0
  Ce  Ce1  1  0.355  0.355  0.355  1.0
  Ce  Ce2  1  0.184  0.184  0.685  1.0
  Ce  Ce3  1  0.685  0.184  0.184  1.0
  Ce  Ce4  1  0.184  0.685  0.184  1.0
  Ce  Ce5  1  0.816  0.816  0.315  1.0
  Ce  Ce6  1  0.315  0.816  0.816  1.0
  Ce  Ce7  1  0.816  0.315  0.816  1.0
  Re  Re8  1  0.000  0.000  0.000  1.0
  Re  Re9  1  0.595  0.067  0.595  1.0
  Re  Re10  1  0.595  0.595  0.067  1.0
  Re  Re11  1  0.067  0.595  0.595  1.0
  Re  Re12  1  0.405  0.933  0.405  1.0
  Re  Re13  1  0.405  0.405  0.933  1.0
  Re  Re14  1  0.933  0.405  0.405  1.0
  Re  Re15  1  0.923  0.923  0.670  1.0
  Re  Re16  1  0.670  0.923  0.923  1.0
  Re  Re17  1  0.923  0.670  0.923  1.0
  Re  Re18  1  0.077  0.077  0.330  1.0
  Re  Re19  1  0.330  0.077  0.077  1.0
  Re  Re20  1  0.077  0.330  0.077  1.0
  B  B21  1  0.153  0.847  0.500  1.0
  B  B22  1  0.500  0.153  0.847  1.0
  B  B23  1  0.847  0.500  0.153  1.0
  B  B24  1  0.500  0.847  0.153  1.0
  B  B25  1  0.153  0.500  0.847  1.0
  B  B26  1  0.847  0.153  0.500  1.0
  B  B27  1  0.671  0.500  0.329  1.0
  B  B28  1  0.329  0.671  0.500  1.0
  B  B29  1  0.500  0.329  0.671  1.0
  B  B30  1  0.329  0.500  0.671  1.0
  B  B31  1  0.671  0.329  0.500  1.0
  B  B32  1  0.500  0.671  0.329  1.0
[/CIF]
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