CsPb2Br5 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Br(1) and eight equivalent Br(2) atoms. Pb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cs(1) and four equivalent Pb(1) atoms to form corner-sharing BrCs2Pb4 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1) and three equivalent Pb(1) atoms.
CsPb2Br5 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Br(1) and eight equivalent Br(2) atoms. Both Cs(1)-Br(1) bond lengths are 3.90 Å. All Cs(1)-Br(2) bond lengths are 3.76 Å. Pb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. Both Pb(1)-Br(1) bond lengths are 3.18 Å. There are two shorter (2.92 Å) and four longer (3.38 Å) Pb(1)-Br(2) bond lengths. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cs(1) and four equivalent Pb(1) atoms to form corner-sharing BrCs2Pb4 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1) and three equivalent Pb(1) atoms.