Ba3Ce is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Ba(1), four equivalent Ba(2), and four equivalent Ce(1) atoms to form BaBa8Ce4 cuboctahedra that share corners with twelve equivalent Ba(1)Ba8Ce4 cuboctahedra, edges with eight equivalent Ba(1)Ba8Ce4 cuboctahedra, edges with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ba12 cuboctahedra, faces with four equivalent Ba(2)Ba8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ba12 cuboctahedra, and faces with ten equivalent Ba(1)Ba8Ce4 cuboctahedra. In the second Ba site, Ba(2) is bonded to eight equivalent Ba(1) and four equivalent Ce(1) atoms to form BaBa8Ce4 cuboctahedra that share corners with four equivalent Ba(2)Ba8Ce4 cuboctahedra, corners with eight equivalent Ce(1)Ba12 cuboctahedra, edges with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Ce4 cuboctahedra, faces with four equivalent Ba(2)Ba8Ce4 cuboctahedra, faces with six equivalent Ce(1)Ba12 cuboctahedra, and faces with eight equivalent Ba(1)Ba8Ce4 cuboctahedra. Ce(1) is bonded to four equivalent Ba(2) and eight equivalent Ba(1) atoms to form CeBa12 cuboctahedra that share corners with four equivalent Ce(1)Ba12 cuboctahedra, corners with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ba12 cuboctahedra, faces with six equivalent Ba(2)Ba8Ce4 cuboctahedra, and faces with eight equivalent Ba(1)Ba8Ce4 cuboctahedra.
Ba3Ce is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Ba(1), four equivalent Ba(2), and four equivalent Ce(1) atoms to form BaBa8Ce4 cuboctahedra that share corners with twelve equivalent Ba(1)Ba8Ce4 cuboctahedra, edges with eight equivalent Ba(1)Ba8Ce4 cuboctahedra, edges with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ba12 cuboctahedra, faces with four equivalent Ba(2)Ba8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ba12 cuboctahedra, and faces with ten equivalent Ba(1)Ba8Ce4 cuboctahedra. All Ba(1)-Ba(1) bond lengths are 4.35 Å. All Ba(1)-Ba(2) bond lengths are 4.30 Å. All Ba(1)-Ce(1) bond lengths are 4.30 Å. In the second Ba site, Ba(2) is bonded to eight equivalent Ba(1) and four equivalent Ce(1) atoms to form BaBa8Ce4 cuboctahedra that share corners with four equivalent Ba(2)Ba8Ce4 cuboctahedra, corners with eight equivalent Ce(1)Ba12 cuboctahedra, edges with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Ce4 cuboctahedra, faces with four equivalent Ba(2)Ba8Ce4 cuboctahedra, faces with six equivalent Ce(1)Ba12 cuboctahedra, and faces with eight equivalent Ba(1)Ba8Ce4 cuboctahedra. All Ba(2)-Ce(1) bond lengths are 4.35 Å. Ce(1) is bonded to four equivalent Ba(2) and eight equivalent Ba(1) atoms to form CeBa12 cuboctahedra that share corners with four equivalent Ce(1)Ba12 cuboctahedra, corners with eight equivalent Ba(2)Ba8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ba12 cuboctahedra, edges with sixteen equivalent Ba(1)Ba8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ba12 cuboctahedra, faces with six equivalent Ba(2)Ba8Ce4 cuboctahedra, and faces with eight equivalent Ba(1)Ba8Ce4 cuboctahedra.