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.
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. There are a spread of Sc(1)-Sc(1,1) bond distances ranging from 3.19-3.30 Å. There are two shorter (3.21 Å) and two longer (3.26 Å) Sc(1)-Bi(1) bond lengths. 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. Both Sc(1)-Sc(1) bond lengths are 3.19 Å. There are two shorter (3.21 Å) and two longer (3.26 Å) Sc(1)-Bi(1) bond lengths. 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.