The compound described by ScBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form ScBi12 cuboctahedra that share corners with four equivalent Sc(1)Bi12 cuboctahedra, edges with eight equivalent Sc(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Sc4Bi8 cuboctahedra, faces with four equivalent Sc(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Sc4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Sc(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiSc4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Sc4Bi8 cuboctahedra, edges with eight equivalent Sc(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Sc4Bi8 cuboctahedra, faces with four equivalent Sc(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Sc4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Sc(1) and eight equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_ScBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.324
_cell_angle_alpha   137.053
_cell_angle_beta   137.053
_cell_angle_gamma   62.357
_symmetry_Int_Tables_number   1
_cell_volume   115.997
_cell_formula_units_Z   1
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
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The compound described by ScBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form ScBi12 cuboctahedra that share corners with four equivalent Sc(1)Bi12 cuboctahedra, edges with eight equivalent Sc(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Sc4Bi8 cuboctahedra, faces with four equivalent Sc(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Sc4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Sc(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiSc4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Sc4Bi8 cuboctahedra, edges with eight equivalent Sc(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Sc4Bi8 cuboctahedra, faces with four equivalent Sc(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Sc4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Sc(1) and eight equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_ScBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.324
_cell_angle_alpha   137.053
_cell_angle_beta   137.053
_cell_angle_gamma   62.357
_symmetry_Int_Tables_number   1
_cell_volume   115.997
_cell_formula_units_Z   1
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
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.