The crystal structure described by CeCu2Si crystallizes in the orthorhombic Cmcm space group. Ce(1) is bonded in a 14-coordinate geometry to four equivalent Cu(2), six equivalent Cu(1), and four equivalent Si(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1), two equivalent Cu(1), and one Si(1) atom. In the second Cu site, Cu(2) is bonded to four equivalent Ce(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CuCe4Cu4Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_CeCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   4.078
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   154.230
_symmetry_Int_Tables_number   1
_cell_volume   141.277
_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  0.610  0.390  0.250  1.0
  Ce  Ce1  1  0.390  0.610  0.750  1.0
  Cu  Cu2  1  0.962  0.038  0.250  1.0
  Cu  Cu3  1  0.038  0.962  0.750  1.0
  Cu  Cu4  1  0.249  0.751  0.250  1.0
  Cu  Cu5  1  0.751  0.249  0.750  1.0
  Si  Si6  1  0.826  0.174  0.250  1.0
  Si  Si7  1  0.174  0.826  0.750  1.0
[/CIF]
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The crystal structure described by CeCu2Si crystallizes in the orthorhombic Cmcm space group. Ce(1) is bonded in a 14-coordinate geometry to four equivalent Cu(2), six equivalent Cu(1), and four equivalent Si(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1), two equivalent Cu(1), and one Si(1) atom. In the second Cu site, Cu(2) is bonded to four equivalent Ce(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CuCe4Cu4Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_CeCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   4.078
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   154.230
_symmetry_Int_Tables_number   1
_cell_volume   141.277
_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  0.610  0.390  0.250  1.0
  Ce  Ce1  1  0.390  0.610  0.750  1.0
  Cu  Cu2  1  0.962  0.038  0.250  1.0
  Cu  Cu3  1  0.038  0.962  0.750  1.0
  Cu  Cu4  1  0.249  0.751  0.250  1.0
  Cu  Cu5  1  0.751  0.249  0.750  1.0
  Si  Si6  1  0.826  0.174  0.250  1.0
  Si  Si7  1  0.174  0.826  0.750  1.0
[/CIF]
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