The structure described by Sc3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to eight Sc(1,1) and four equivalent Bi(1) atoms to form distorted ScSc8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Sc12 cuboctahedra; corners with fourteen Sc(1,1)Sc8Bi4 cuboctahedra; edges with six equivalent Bi(1)Sc12 cuboctahedra; edges with twelve Sc(1,1)Sc8Bi4 cuboctahedra; faces with four equivalent Bi(1)Sc12 cuboctahedra; and faces with sixteen Sc(1,1)Sc8Bi4 cuboctahedra. In the second Sc site, Sc(1) is bonded to eight Sc(1,1) and four equivalent Bi(1) atoms to form distorted ScSc8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Sc12 cuboctahedra; corners with fourteen Sc(1,1)Sc8Bi4 cuboctahedra; edges with six equivalent Bi(1)Sc12 cuboctahedra; edges with twelve Sc(1,1)Sc8Bi4 cuboctahedra; faces with four equivalent Bi(1)Sc12 cuboctahedra; and faces with sixteen Sc(1,1)Sc8Bi4 cuboctahedra. Bi(1) is bonded to twelve Sc(1,1) atoms to form BiSc12 cuboctahedra that share corners with six equivalent Bi(1)Sc12 cuboctahedra; corners with twelve Sc(1,1)Sc8Bi4 cuboctahedra; edges with eighteen Sc(1,1)Sc8Bi4 cuboctahedra; faces with eight equivalent Bi(1)Sc12 cuboctahedra; and faces with twelve Sc(1,1)Sc8Bi4 cuboctahedra. is represented by the CIF file [CIF]
data_Sc3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   6.528
_cell_length_c   5.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   190.954
_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  0.165  0.330  0.250  1.0
  Sc  Sc1  1  0.670  0.835  0.250  1.0
  Sc  Sc2  1  0.165  0.835  0.250  1.0
  Sc  Sc3  1  0.835  0.670  0.750  1.0
  Sc  Sc4  1  0.330  0.165  0.750  1.0
  Sc  Sc5  1  0.835  0.165  0.750  1.0
  Bi  Bi6  1  0.333  0.667  0.750  1.0
  Bi  Bi7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The structure described by Sc3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to eight Sc(1,1) and four equivalent Bi(1) atoms to form distorted ScSc8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Sc12 cuboctahedra; corners with fourteen Sc(1,1)Sc8Bi4 cuboctahedra; edges with six equivalent Bi(1)Sc12 cuboctahedra; edges with twelve Sc(1,1)Sc8Bi4 cuboctahedra; faces with four equivalent Bi(1)Sc12 cuboctahedra; and faces with sixteen Sc(1,1)Sc8Bi4 cuboctahedra. In the second Sc site, Sc(1) is bonded to eight Sc(1,1) and four equivalent Bi(1) atoms to form distorted ScSc8Bi4 cuboctahedra that share corners with four equivalent Bi(1)Sc12 cuboctahedra; corners with fourteen Sc(1,1)Sc8Bi4 cuboctahedra; edges with six equivalent Bi(1)Sc12 cuboctahedra; edges with twelve Sc(1,1)Sc8Bi4 cuboctahedra; faces with four equivalent Bi(1)Sc12 cuboctahedra; and faces with sixteen Sc(1,1)Sc8Bi4 cuboctahedra. Bi(1) is bonded to twelve Sc(1,1) atoms to form BiSc12 cuboctahedra that share corners with six equivalent Bi(1)Sc12 cuboctahedra; corners with twelve Sc(1,1)Sc8Bi4 cuboctahedra; edges with eighteen Sc(1,1)Sc8Bi4 cuboctahedra; faces with eight equivalent Bi(1)Sc12 cuboctahedra; and faces with twelve Sc(1,1)Sc8Bi4 cuboctahedra. is represented by the CIF file [CIF]
data_Sc3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   6.528
_cell_length_c   5.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   190.954
_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  0.165  0.330  0.250  1.0
  Sc  Sc1  1  0.670  0.835  0.250  1.0
  Sc  Sc2  1  0.165  0.835  0.250  1.0
  Sc  Sc3  1  0.835  0.670  0.750  1.0
  Sc  Sc4  1  0.330  0.165  0.750  1.0
  Sc  Sc5  1  0.835  0.165  0.750  1.0
  Bi  Bi6  1  0.333  0.667  0.750  1.0
  Bi  Bi7  1  0.667  0.333  0.250  1.0
[/CIF]
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