The crystal structure described by CeFe5 crystallizes in the hexagonal P6/mmm space group. Ce(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Ce(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeCe4Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.072
_cell_length_c   4.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   90.217
_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  1.000  0.000  0.000  1.0
  Fe  Fe1  1  1.000  0.500  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.000  1.0
  Fe  Fe3  1  0.667  0.333  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by CeFe5 crystallizes in the hexagonal P6/mmm space group. Ce(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Ce(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of edge, face, and corner-sharing FeCe4Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.072
_cell_length_c   4.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   90.217
_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  1.000  0.000  0.000  1.0
  Fe  Fe1  1  1.000  0.500  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.000  1.0
  Fe  Fe3  1  0.667  0.333  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
[/CIF]
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