The material structure described by UCu5In crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(4), and four equivalent In(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent U(1), one Cu(3), four equivalent Cu(4), and one In(1) atom. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent U(1), two equivalent Cu(3), two equivalent Cu(4), and three equivalent In(1) atoms. In the third Cu site, Cu(3) is bonded to three equivalent U(1), one Cu(1), two equivalent Cu(2), four equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuU3In2Cu7 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of corner, edge, and face-sharing CuU3In2Cu7 cuboctahedra. In(1) is bonded in a 14-coordinate geometry to four equivalent U(1), one Cu(1), two equivalent Cu(3), three equivalent Cu(2), and four equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_UInCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.341
_cell_length_c   10.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.962
_cell_formula_units_Z   4
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
  U  U0  1  0.750  0.749  0.439  1.0
  U  U1  1  0.250  0.251  0.561  1.0
  U  U2  1  0.250  0.751  0.939  1.0
  U  U3  1  0.750  0.249  0.061  1.0
  In  In4  1  0.750  0.864  0.137  1.0
  In  In5  1  0.250  0.136  0.863  1.0
  In  In6  1  0.250  0.636  0.637  1.0
  In  In7  1  0.750  0.364  0.363  1.0
  Cu  Cu8  1  0.750  0.584  0.983  1.0
  Cu  Cu9  1  0.250  0.416  0.017  1.0
  Cu  Cu10  1  0.250  0.916  0.483  1.0
  Cu  Cu11  1  0.750  0.084  0.517  1.0
  Cu  Cu12  1  0.750  0.941  0.896  1.0
  Cu  Cu13  1  0.250  0.059  0.104  1.0
  Cu  Cu14  1  0.250  0.559  0.396  1.0
  Cu  Cu15  1  0.750  0.441  0.604  1.0
  Cu  Cu16  1  0.750  0.683  0.758  1.0
  Cu  Cu17  1  0.250  0.317  0.242  1.0
  Cu  Cu18  1  0.250  0.817  0.258  1.0
  Cu  Cu19  1  0.750  0.183  0.742  1.0
  Cu  Cu20  1  0.499  0.931  0.687  1.0
  Cu  Cu21  1  0.501  0.069  0.313  1.0
  Cu  Cu22  1  0.501  0.569  0.187  1.0
  Cu  Cu23  1  0.999  0.069  0.313  1.0
  Cu  Cu24  1  0.499  0.431  0.813  1.0
  Cu  Cu25  1  0.001  0.931  0.687  1.0
  Cu  Cu26  1  0.001  0.431  0.813  1.0
  Cu  Cu27  1  0.999  0.569  0.187  1.0
[/CIF]
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The material structure described by UCu5In crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 19-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(4), and four equivalent In(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent U(1), one Cu(3), four equivalent Cu(4), and one In(1) atom. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to three equivalent U(1), two equivalent Cu(3), two equivalent Cu(4), and three equivalent In(1) atoms. In the third Cu site, Cu(3) is bonded to three equivalent U(1), one Cu(1), two equivalent Cu(2), four equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuU3In2Cu7 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), one Cu(2), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), and two equivalent In(1) atoms to form a mixture of corner, edge, and face-sharing CuU3In2Cu7 cuboctahedra. In(1) is bonded in a 14-coordinate geometry to four equivalent U(1), one Cu(1), two equivalent Cu(3), three equivalent Cu(2), and four equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_UInCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.341
_cell_length_c   10.632
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.962
_cell_formula_units_Z   4
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
  U  U0  1  0.750  0.749  0.439  1.0
  U  U1  1  0.250  0.251  0.561  1.0
  U  U2  1  0.250  0.751  0.939  1.0
  U  U3  1  0.750  0.249  0.061  1.0
  In  In4  1  0.750  0.864  0.137  1.0
  In  In5  1  0.250  0.136  0.863  1.0
  In  In6  1  0.250  0.636  0.637  1.0
  In  In7  1  0.750  0.364  0.363  1.0
  Cu  Cu8  1  0.750  0.584  0.983  1.0
  Cu  Cu9  1  0.250  0.416  0.017  1.0
  Cu  Cu10  1  0.250  0.916  0.483  1.0
  Cu  Cu11  1  0.750  0.084  0.517  1.0
  Cu  Cu12  1  0.750  0.941  0.896  1.0
  Cu  Cu13  1  0.250  0.059  0.104  1.0
  Cu  Cu14  1  0.250  0.559  0.396  1.0
  Cu  Cu15  1  0.750  0.441  0.604  1.0
  Cu  Cu16  1  0.750  0.683  0.758  1.0
  Cu  Cu17  1  0.250  0.317  0.242  1.0
  Cu  Cu18  1  0.250  0.817  0.258  1.0
  Cu  Cu19  1  0.750  0.183  0.742  1.0
  Cu  Cu20  1  0.499  0.931  0.687  1.0
  Cu  Cu21  1  0.501  0.069  0.313  1.0
  Cu  Cu22  1  0.501  0.569  0.187  1.0
  Cu  Cu23  1  0.999  0.069  0.313  1.0
  Cu  Cu24  1  0.499  0.431  0.813  1.0
  Cu  Cu25  1  0.001  0.931  0.687  1.0
  Cu  Cu26  1  0.001  0.431  0.813  1.0
  Cu  Cu27  1  0.999  0.569  0.187  1.0
[/CIF]
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