Materials Data on PBr5 by Materials Project
PBr5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. P5+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.20 Å) and three longer (2.22 Å) P–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.14 Å. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.05 Å. In the third Br1- site, Br1- is bonded in a see-saw-like geometry to four Br1- atoms. The Br–Br bond length is 3.26 Å. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom.
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