CsSrBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. Cs(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with eight equivalent Sr(1)Br6 octahedra. Sr(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form SrBr6 octahedra that share corners with six equivalent Sr(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms.
CsSrBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. Cs(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with eight equivalent Sr(1)Br6 octahedra. There are a spread of Cs(1)-Br(1) bond distances ranging from 4.17-4.27 Å. There are a spread of Cs(1)-Br(2) bond distances ranging from 4.13-4.32 Å. There are a spread of Cs(1)-Br(3) bond distances ranging from 4.19-4.26 Å. Sr(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form SrBr6 octahedra that share corners with six equivalent Sr(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. Both Sr(1)-Br(1) bond lengths are 2.99 Å. There is one shorter (2.98 Å) and one longer (2.99 Å) Sr(1)-Br(2) bond length. There is one shorter (2.98 Å) and one longer (2.99 Å) Sr(1)-Br(3) bond length. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Sr(1) atoms.