Materials Data on Rh3Br by Materials Project
Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Rh and four equivalent Br atoms. All Rh–Rh bond lengths are 2.78 Å. All Rh–Br bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Br atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent RhRh8Br4 cuboctahedra, corners with eight equivalent BrRh12 cuboctahedra, edges with eight equivalent RhRh8Br4 cuboctahedra, faces with four equivalent RhRh8Br4 cuboctahedra, and faces with six equivalent BrRh12 cuboctahedra. All Rh–Br bond lengths are 2.90 Å. Br is bonded to twelve Rh atoms to form BrRh12 cuboctahedra that share corners with four equivalent BrRh12 cuboctahedra, corners with eight equivalent RhRh8Br4 cuboctahedra, edges with eight equivalent BrRh12 cuboctahedra, faces with four equivalent BrRh12 cuboctahedra, and faces with six equivalent RhRh8Br4 cuboctahedra.