CsAlBr4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Br(2), three equivalent Br(3), and six equivalent Br(1) atoms. Al(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Al(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom.
CsAlBr4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Br(2), three equivalent Br(3), and six equivalent Br(1) atoms. The Cs(1)-Br(2) bond length is 3.74 Å. There is one shorter (3.87 Å) and two longer (4.14 Å) Cs(1)-Br(3) bond lengths. There are a spread of Cs(1)-Br(1) bond distances ranging from 3.77-4.04 Å. Al(1) is bonded in a tetrahedral geometry to one Br(2), one Br(3), and two equivalent Br(1) atoms. The Al(1)-Br(2) bond length is 2.30 Å. The Al(1)-Br(3) bond length is 2.30 Å. Both Al(1)-Br(1) bond lengths are 2.31 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Al(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom.