The material described by Ce5(FeB3)2 crystallizes in the trigonal R-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. Fe(1) is bonded in a 7-coordinate geometry to one Ce(1) and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Ce(3), two equivalent Fe(1), and three equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ce5(FeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.314
_cell_length_c   8.529
_cell_angle_alpha   71.849
_cell_angle_beta   71.849
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   194.619
_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  0.000  0.000  1.0
  Ce  Ce1  1  0.747  0.747  0.758  1.0
  Ce  Ce2  1  0.253  0.253  0.242  1.0
  Ce  Ce3  1  0.586  0.586  0.243  1.0
  Ce  Ce4  1  0.414  0.414  0.757  1.0
  Fe  Fe5  1  0.883  0.883  0.350  1.0
  Fe  Fe6  1  0.117  0.117  0.650  1.0
  B  B7  1  0.500  0.168  0.500  1.0
  B  B8  1  0.832  0.500  0.500  1.0
  B  B9  1  0.168  0.832  0.500  1.0
  B  B10  1  0.168  0.500  0.500  1.0
  B  B11  1  0.832  0.168  0.500  1.0
  B  B12  1  0.500  0.832  0.500  1.0
[/CIF]
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The material described by Ce5(FeB3)2 crystallizes in the trigonal R-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. Fe(1) is bonded in a 7-coordinate geometry to one Ce(1) and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), two equivalent Ce(3), two equivalent Fe(1), and three equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ce5(FeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   5.314
_cell_length_c   8.529
_cell_angle_alpha   71.849
_cell_angle_beta   71.849
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   194.619
_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  0.000  0.000  1.0
  Ce  Ce1  1  0.747  0.747  0.758  1.0
  Ce  Ce2  1  0.253  0.253  0.242  1.0
  Ce  Ce3  1  0.586  0.586  0.243  1.0
  Ce  Ce4  1  0.414  0.414  0.757  1.0
  Fe  Fe5  1  0.883  0.883  0.350  1.0
  Fe  Fe6  1  0.117  0.117  0.650  1.0
  B  B7  1  0.500  0.168  0.500  1.0
  B  B8  1  0.832  0.500  0.500  1.0
  B  B9  1  0.168  0.832  0.500  1.0
  B  B10  1  0.168  0.500  0.500  1.0
  B  B11  1  0.832  0.168  0.500  1.0
  B  B12  1  0.500  0.832  0.500  1.0
[/CIF]
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