CsSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form CsSr12 cuboctahedra that share corners with four equivalent Cs(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, edges with eight equivalent Cs(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Cs4Sr8 cuboctahedra, faces with four equivalent Cs(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Cs4Sr8 cuboctahedra, and faces with eight equivalent Sr(1)Cs4Sr8 cuboctahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Cs(1), four equivalent Sr(1), and four equivalent Sr(2) atoms to form SrCs4Sr8 cuboctahedra that share corners with twelve equivalent Sr(1)Cs4Sr8 cuboctahedra, edges with eight equivalent Cs(1)Sr12 cuboctahedra, edges with eight equivalent Sr(1)Cs4Sr8 cuboctahedra, edges with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, faces with four equivalent Cs(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Cs4Sr8 cuboctahedra, and faces with ten equivalent Sr(1)Cs4Sr8 cuboctahedra. In the second Sr site, Sr(2) is bonded to four equivalent Cs(1) and eight equivalent Sr(1) atoms to form SrCs4Sr8 cuboctahedra that share corners with four equivalent Sr(2)Cs4Sr8 cuboctahedra, corners with eight equivalent Cs(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, edges with sixteen equivalent Sr(1)Cs4Sr8 cuboctahedra, faces with four equivalent Sr(2)Cs4Sr8 cuboctahedra, faces with six equivalent Cs(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Cs4Sr8 cuboctahedra.
CsSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form CsSr12 cuboctahedra that share corners with four equivalent Cs(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, edges with eight equivalent Cs(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Cs4Sr8 cuboctahedra, faces with four equivalent Cs(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Cs4Sr8 cuboctahedra, and faces with eight equivalent Sr(1)Cs4Sr8 cuboctahedra. All Cs(1)-Sr(2) bond lengths are 4.50 Å. All Cs(1)-Sr(1) bond lengths are 4.45 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Cs(1), four equivalent Sr(1), and four equivalent Sr(2) atoms to form SrCs4Sr8 cuboctahedra that share corners with twelve equivalent Sr(1)Cs4Sr8 cuboctahedra, edges with eight equivalent Cs(1)Sr12 cuboctahedra, edges with eight equivalent Sr(1)Cs4Sr8 cuboctahedra, edges with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, faces with four equivalent Cs(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Cs4Sr8 cuboctahedra, and faces with ten equivalent Sr(1)Cs4Sr8 cuboctahedra. All Sr(1)-Sr(1) bond lengths are 4.50 Å. All Sr(1)-Sr(2) bond lengths are 4.45 Å. In the second Sr site, Sr(2) is bonded to four equivalent Cs(1) and eight equivalent Sr(1) atoms to form SrCs4Sr8 cuboctahedra that share corners with four equivalent Sr(2)Cs4Sr8 cuboctahedra, corners with eight equivalent Cs(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Cs4Sr8 cuboctahedra, edges with sixteen equivalent Sr(1)Cs4Sr8 cuboctahedra, faces with four equivalent Sr(2)Cs4Sr8 cuboctahedra, faces with six equivalent Cs(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Cs4Sr8 cuboctahedra.