The compound described by CeCuIn crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Cu(1) and six equivalent In(1) atoms to form a mixture of distorted edge and face-sharing CeIn6Cu6 cuboctahedra. Cu(1) is bonded in a 11-coordinate geometry to six equivalent Ce(1) and five equivalent In(1) atoms. In(1) is bonded in a 11-coordinate geometry to six equivalent Ce(1) and five equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CeInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   4.741
_cell_length_c   6.734
_cell_angle_alpha   90.004
_cell_angle_beta   89.996
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   131.020
_cell_formula_units_Z   2
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  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.666  0.334  0.250  1.0
  In  In3  1  0.334  0.666  0.750  1.0
  Cu  Cu4  1  0.667  0.333  0.750  1.0
  Cu  Cu5  1  0.333  0.667  0.250  1.0
[/CIF]
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The compound described by CeCuIn crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded to six equivalent Cu(1) and six equivalent In(1) atoms to form a mixture of distorted edge and face-sharing CeIn6Cu6 cuboctahedra. Cu(1) is bonded in a 11-coordinate geometry to six equivalent Ce(1) and five equivalent In(1) atoms. In(1) is bonded in a 11-coordinate geometry to six equivalent Ce(1) and five equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CeInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   4.741
_cell_length_c   6.734
_cell_angle_alpha   90.004
_cell_angle_beta   89.996
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   131.020
_cell_formula_units_Z   2
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  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.666  0.334  0.250  1.0
  In  In3  1  0.334  0.666  0.750  1.0
  Cu  Cu4  1  0.667  0.333  0.750  1.0
  Cu  Cu5  1  0.333  0.667  0.250  1.0
[/CIF]
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