The compound described by ErCuIn crystallizes in the hexagonal P-62m space group. Er(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent In(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 Er(1) and three equivalent In(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent In(1) atoms. In(1) is bonded in a 10-coordinate geometry to six equivalent Er(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_ErInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.365
_cell_length_b   7.365
_cell_length_c   3.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.798
_cell_formula_units_Z   3
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
  Er  Er0  1  0.000  0.590  0.500  1.0
  Er  Er1  1  0.410  0.410  0.500  1.0
  Er  Er2  1  0.590  0.000  0.500  1.0
  In  In3  1  0.745  0.745  0.000  1.0
  In  In4  1  0.000  0.255  0.000  1.0
  In  In5  1  0.255  0.000  0.000  1.0
  Cu  Cu6  1  0.333  0.667  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.667  0.333  0.000  1.0
[/CIF]
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The compound described by ErCuIn crystallizes in the hexagonal P-62m space group. Er(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent In(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 Er(1) and three equivalent In(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Er(1) and six equivalent In(1) atoms. In(1) is bonded in a 10-coordinate geometry to six equivalent Er(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_ErInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.365
_cell_length_b   7.365
_cell_length_c   3.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.798
_cell_formula_units_Z   3
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
  Er  Er0  1  0.000  0.590  0.500  1.0
  Er  Er1  1  0.410  0.410  0.500  1.0
  Er  Er2  1  0.590  0.000  0.500  1.0
  In  In3  1  0.745  0.745  0.000  1.0
  In  In4  1  0.000  0.255  0.000  1.0
  In  In5  1  0.255  0.000  0.000  1.0
  Cu  Cu6  1  0.333  0.667  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.667  0.333  0.000  1.0
[/CIF]
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