PBr5 is Iron carbide-like structured and crystallizes in the orthorhombic Pbcm space group. P(1) is bonded in a tetrahedral geometry to one Br(1), one Br(4), and two equivalent Br(2) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) and one Br(3) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) and one Br(3) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one Br(1), one Br(4), and two equivalent Br(2) atoms. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(1) and one Br(3) atom.
PBr5 is Iron carbide-like structured and crystallizes in the orthorhombic Pbcm space group. P(1) is bonded in a tetrahedral geometry to one Br(1), one Br(4), and two equivalent Br(2) atoms. The P(1)-Br(1) bond length is 2.19 Å. The P(1)-Br(4) bond length is 2.17 Å. Both P(1)-Br(2) bond lengths are 2.18 Å. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) and one Br(3) atom. The Br(1)-Br(3) bond length is 3.09 Å. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) and one Br(3) atom. The Br(2)-Br(3) bond length is 3.10 Å. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one Br(1), one Br(4), and two equivalent Br(2) atoms. The Br(3)-Br(4) bond length is 3.17 Å. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(1) and one Br(3) atom.