CsLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form CsLa12 cuboctahedra that share corners with four equivalent Cs(1)La12 cuboctahedra, corners with eight equivalent La(2)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with six equivalent La(2)Cs4La8 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Cs(1), four equivalent La(1), and four equivalent La(2) atoms to form LaCs4La8 cuboctahedra that share corners with twelve equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, and faces with ten equivalent La(1)Cs4La8 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Cs(1) and eight equivalent La(1) atoms to form LaCs4La8 cuboctahedra that share corners with four equivalent La(2)Cs4La8 cuboctahedra, corners with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, faces with six equivalent Cs(1)La12 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra.
CsLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form CsLa12 cuboctahedra that share corners with four equivalent Cs(1)La12 cuboctahedra, corners with eight equivalent La(2)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with six equivalent La(2)Cs4La8 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra. All Cs(1)-La(2) bond lengths are 3.88 Å. All Cs(1)-La(1) bond lengths are 3.88 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Cs(1), four equivalent La(1), and four equivalent La(2) atoms to form LaCs4La8 cuboctahedra that share corners with twelve equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(1)Cs4La8 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, faces with four equivalent Cs(1)La12 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, and faces with ten equivalent La(1)Cs4La8 cuboctahedra. All La(1)-La(1) bond lengths are 3.88 Å. All La(1)-La(2) bond lengths are 3.88 Å. In the second La site, La(2) is bonded to four equivalent Cs(1) and eight equivalent La(1) atoms to form LaCs4La8 cuboctahedra that share corners with four equivalent La(2)Cs4La8 cuboctahedra, corners with eight equivalent Cs(1)La12 cuboctahedra, edges with eight equivalent La(2)Cs4La8 cuboctahedra, edges with sixteen equivalent La(1)Cs4La8 cuboctahedra, faces with four equivalent La(2)Cs4La8 cuboctahedra, faces with six equivalent Cs(1)La12 cuboctahedra, and faces with eight equivalent La(1)Cs4La8 cuboctahedra.