The material structure described by Ce9CuIn2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Ce(2), four equivalent Ce(3), and four equivalent In(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), four equivalent Ce(3), two equivalent Cu(1), and two equivalent In(1) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Ce(3), four equivalent Ce(2), and three equivalent In(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to eight equivalent Ce(2) atoms. In(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), and six equivalent Ce(3) atoms. is represented by the CIF card [CIF]
data_Ce9In2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.569
_cell_length_b   10.909
_cell_length_c   10.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.719
_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  0.500  0.000  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.500  0.041  0.182  1.0
  Ce  Ce3  1  0.500  0.959  0.818  1.0
  Ce  Ce4  1  0.500  0.818  0.041  1.0
  Ce  Ce5  1  0.500  0.459  0.682  1.0
  Ce  Ce6  1  0.500  0.182  0.959  1.0
  Ce  Ce7  1  0.500  0.541  0.318  1.0
  Ce  Ce8  1  0.500  0.682  0.541  1.0
  Ce  Ce9  1  0.500  0.318  0.459  1.0
  Ce  Ce10  1  0.242  0.183  0.683  1.0
  Ce  Ce11  1  0.758  0.817  0.317  1.0
  Ce  Ce12  1  0.242  0.817  0.317  1.0
  Ce  Ce13  1  0.242  0.317  0.183  1.0
  Ce  Ce14  1  0.758  0.317  0.183  1.0
  Ce  Ce15  1  0.758  0.183  0.683  1.0
  Ce  Ce16  1  0.758  0.683  0.817  1.0
  Ce  Ce17  1  0.242  0.683  0.817  1.0
  In  In18  1  0.000  0.617  0.117  1.0
  In  In19  1  0.000  0.383  0.883  1.0
  In  In20  1  0.000  0.883  0.617  1.0
  In  In21  1  0.000  0.117  0.383  1.0
  Cu  Cu22  1  0.000  0.000  0.000  1.0
  Cu  Cu23  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Ce9CuIn2 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent Ce(2), four equivalent Ce(3), and four equivalent In(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), four equivalent Ce(3), two equivalent Cu(1), and two equivalent In(1) atoms. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Ce(3), four equivalent Ce(2), and three equivalent In(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to eight equivalent Ce(2) atoms. In(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), and six equivalent Ce(3) atoms. is represented by the CIF card [CIF]
data_Ce9In2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.569
_cell_length_b   10.909
_cell_length_c   10.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.719
_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  0.500  0.000  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.500  0.041  0.182  1.0
  Ce  Ce3  1  0.500  0.959  0.818  1.0
  Ce  Ce4  1  0.500  0.818  0.041  1.0
  Ce  Ce5  1  0.500  0.459  0.682  1.0
  Ce  Ce6  1  0.500  0.182  0.959  1.0
  Ce  Ce7  1  0.500  0.541  0.318  1.0
  Ce  Ce8  1  0.500  0.682  0.541  1.0
  Ce  Ce9  1  0.500  0.318  0.459  1.0
  Ce  Ce10  1  0.242  0.183  0.683  1.0
  Ce  Ce11  1  0.758  0.817  0.317  1.0
  Ce  Ce12  1  0.242  0.817  0.317  1.0
  Ce  Ce13  1  0.242  0.317  0.183  1.0
  Ce  Ce14  1  0.758  0.317  0.183  1.0
  Ce  Ce15  1  0.758  0.183  0.683  1.0
  Ce  Ce16  1  0.758  0.683  0.817  1.0
  Ce  Ce17  1  0.242  0.683  0.817  1.0
  In  In18  1  0.000  0.617  0.117  1.0
  In  In19  1  0.000  0.383  0.883  1.0
  In  In20  1  0.000  0.883  0.617  1.0
  In  In21  1  0.000  0.117  0.383  1.0
  Cu  Cu22  1  0.000  0.000  0.000  1.0
  Cu  Cu23  1  0.000  0.500  0.500  1.0
[/CIF]
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