Rh3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Rh(1), four equivalent Rh(2), and four equivalent Si(1) atoms to form distorted RhSi4Rh8 cuboctahedra that share corners with twelve equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, and faces with ten equivalent Rh(1)Si4Rh8 cuboctahedra. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Si(1) atoms to form RhSi4Rh8 cuboctahedra that share corners with four equivalent Rh(2)Si4Rh8 cuboctahedra, corners with eight equivalent Si(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with six equivalent Si(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. Si(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form SiRh12 cuboctahedra that share corners with four equivalent Si(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, faces with six equivalent Rh(2)Si4Rh8 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra.
Rh3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Rh(1), four equivalent Rh(2), and four equivalent Si(1) atoms to form distorted RhSi4Rh8 cuboctahedra that share corners with twelve equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, and faces with ten equivalent Rh(1)Si4Rh8 cuboctahedra. All Rh(1)-Rh(1) bond lengths are 2.73 Å. All Rh(1)-Rh(2) bond lengths are 2.67 Å. All Rh(1)-Si(1) bond lengths are 2.67 Å. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Si(1) atoms to form RhSi4Rh8 cuboctahedra that share corners with four equivalent Rh(2)Si4Rh8 cuboctahedra, corners with eight equivalent Si(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with six equivalent Si(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. All Rh(2)-Si(1) bond lengths are 2.73 Å. Si(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form SiRh12 cuboctahedra that share corners with four equivalent Si(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, faces with six equivalent Rh(2)Si4Rh8 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra.