The material structure described by Sc2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent Sc(1), six equivalent Sc(2), and six equivalent In(1) atoms. In the second Sc site, Sc(2) is bonded to six equivalent Sc(1) and five equivalent In(1) atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Sc(2) and six equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Sc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   5.043
_cell_length_c   6.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.807
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Sc  Sc2  1  0.333  0.667  0.750  1.0
  Sc  Sc3  1  0.667  0.333  0.250  1.0
  In  In4  1  0.333  0.667  0.250  1.0
  In  In5  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material structure described by Sc2In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent Sc(1), six equivalent Sc(2), and six equivalent In(1) atoms. In the second Sc site, Sc(2) is bonded to six equivalent Sc(1) and five equivalent In(1) atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. In(1) is bonded in a 11-coordinate geometry to five equivalent Sc(2) and six equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Sc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   5.043
_cell_length_c   6.302
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.807
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Sc  Sc2  1  0.333  0.667  0.750  1.0
  Sc  Sc3  1  0.667  0.333  0.250  1.0
  In  In4  1  0.333  0.667  0.250  1.0
  In  In5  1  0.667  0.333  0.750  1.0
[/CIF]
.