CsSrCl3 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Sr(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs4Sr2 octahedra that share corners with six equivalent Cl(1)Cs4Sr2 octahedra, corners with eight equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and edges with eight equivalent Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to two equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs2Sr2 tetrahedra that share corners with four equivalent Cl(1)Cs4Sr2 octahedra, corners with ten equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and  an edgeedge with one Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedral tilt angles are 65°.
CsSrCl3 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. All Cs(1)-Cl(1) bond lengths are 3.93 Å. All Cs(1)-Cl(2) bond lengths are 3.56 Å. Sr(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. Both Sr(1)-Cl(1) bond lengths are 2.88 Å. All Sr(1)-Cl(2) bond lengths are 2.87 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs4Sr2 octahedra that share corners with six equivalent Cl(1)Cs4Sr2 octahedra, corners with eight equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and edges with eight equivalent Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to two equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs2Sr2 tetrahedra that share corners with four equivalent Cl(1)Cs4Sr2 octahedra, corners with ten equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and  an edgeedge with one Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedral tilt angles are 65°.