Rh3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen equivalent Rh(1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. In the second Rh site, Rh(1) is bonded to eight equivalent Rh(1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. Tl(1) is bonded to twelve Rh(1,1) atoms to form TlRh12 cuboctahedra that share corners with six equivalent Tl(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Tl4Rh8 cuboctahedra; edges with eighteen Rh(1,1)Tl4Rh8 cuboctahedra; faces with eight equivalent Tl(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1)Tl4Rh8 cuboctahedra.
Rh3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen equivalent Rh(1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. There are a spread of Rh(1)-Rh(1,1) bond distances ranging from 2.75-2.96 Å. There are two shorter (2.85 Å) and two longer (2.86 Å) Rh(1)-Tl(1) bond lengths. In the second Rh site, Rh(1) is bonded to eight equivalent Rh(1) and four equivalent Tl(1) atoms to form distorted RhTl4Rh8 cuboctahedra that share corners with four equivalent Tl(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Tl4Rh8 cuboctahedra; edges with six equivalent Tl(1)Rh12 cuboctahedra; edges with twelve equivalent Rh(1)Tl4Rh8 cuboctahedra; faces with four equivalent Tl(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1)Tl4Rh8 cuboctahedra. There are two shorter (2.85 Å) and two longer (2.86 Å) Rh(1)-Tl(1) bond lengths. Tl(1) is bonded to twelve Rh(1,1) atoms to form TlRh12 cuboctahedra that share corners with six equivalent Tl(1)Rh12 cuboctahedra; corners with twelve Rh(1,1)Tl4Rh8 cuboctahedra; edges with eighteen Rh(1,1)Tl4Rh8 cuboctahedra; faces with eight equivalent Tl(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1)Tl4Rh8 cuboctahedra.