The compound described by Cu2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to two equivalent Cu(1), six equivalent Cu(2), and six equivalent In(1) atoms. In the second Cu site, Cu(2) is bonded to six equivalent Cu(1) and five equivalent In(1) atoms to form a mixture of distorted corner and face-sharing CuIn5Cu6 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Cu(2) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.455
_cell_length_b   4.455
_cell_length_c   5.368
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.259
_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
  In  In0  1  0.333  0.667  0.250  1.0
  In  In1  1  0.667  0.333  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.333  0.667  0.750  1.0
  Cu  Cu5  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Cu2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to two equivalent Cu(1), six equivalent Cu(2), and six equivalent In(1) atoms. In the second Cu site, Cu(2) is bonded to six equivalent Cu(1) and five equivalent In(1) atoms to form a mixture of distorted corner and face-sharing CuIn5Cu6 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Cu(2) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.455
_cell_length_b   4.455
_cell_length_c   5.368
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.259
_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
  In  In0  1  0.333  0.667  0.250  1.0
  In  In1  1  0.667  0.333  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.333  0.667  0.750  1.0
  Cu  Cu5  1  0.667  0.333  0.250  1.0
[/CIF]
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