The compound described by Er2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to six equivalent Er(2) and five equivalent In(1) atoms to form a mixture of distorted corner and face-sharing ErEr6In5 trigonal bipyramids. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Er(2), six equivalent Er(1), and six equivalent In(1) atoms. In(1) is bonded in a 11-coordinate geometry to five equivalent Er(1) and six equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   6.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.173
_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
  Er  Er0  1  0.333  0.667  0.750  1.0
  Er  Er1  1  0.667  0.333  0.250  1.0
  Er  Er2  1  0.000  0.000  0.500  1.0
  Er  Er3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.667  0.333  0.750  1.0
  In  In5  1  0.333  0.667  0.250  1.0
[/CIF]
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The compound described by Er2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to six equivalent Er(2) and five equivalent In(1) atoms to form a mixture of distorted corner and face-sharing ErEr6In5 trigonal bipyramids. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Er(2), six equivalent Er(1), and six equivalent In(1) atoms. In(1) is bonded in a 11-coordinate geometry to five equivalent Er(1) and six equivalent Er(2) atoms. is represented by the CIF file [CIF]
data_Er2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   6.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.173
_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
  Er  Er0  1  0.333  0.667  0.750  1.0
  Er  Er1  1  0.667  0.333  0.250  1.0
  Er  Er2  1  0.000  0.000  0.500  1.0
  Er  Er3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.667  0.333  0.750  1.0
  In  In5  1  0.333  0.667  0.250  1.0
[/CIF]
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