The material described by CeFeZn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) and eight equivalent Zn(1) atoms. Fe(1) is bonded in a square co-planar geometry to four equivalent Ce(1) and eight equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent Ce(1), four equivalent Fe(1), and four equivalent Zn(1) atoms to form a mixture of edge, face, and corner-sharing ZnCe4Zn4Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_CeZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.683
_cell_length_b   3.683
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.297
_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
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by CeFeZn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) and eight equivalent Zn(1) atoms. Fe(1) is bonded in a square co-planar geometry to four equivalent Ce(1) and eight equivalent Zn(1) atoms. Zn(1) is bonded to four equivalent Ce(1), four equivalent Fe(1), and four equivalent Zn(1) atoms to form a mixture of edge, face, and corner-sharing ZnCe4Zn4Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_CeZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.683
_cell_length_b   3.683
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.297
_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
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
[/CIF]
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