Materials Data on B2PCl2 by Materials Project

Abstract

B2PCl2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight B2PCl2 clusters. there are four inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one P and one Cl atom. The B–P bond length is 2.01 Å. The B–Cl bond length is 1.75 Å. In the second B site, B is bonded in a distorted single-bond geometry to two P and one Cl atom. There are one shorter (2.03 Å) and one longer (2.04 Å) B–P bond lengths. The B–Cl bond length is 1.75 Å. In the third B site, B is bonded in a distorted single-bond geometry to one P and one Cl atom. The B–P bond length is 2.01 Å. The B–Cl bond length is 1.76 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to two P and one Cl atom. Both B–P bond lengths are 2.03 Å. The B–Cl bond length is 1.75 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 4-coordinate geometry to three B and one P atom. The P–P bond length is 2.23 Å. In the second P site, P is bonded in a 4-coordinate geometry to three B and one P atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one B atom. In the second Cl site, Cl is bonded in a single-bond geometry to one B atom. In the third Cl site, Cl is bonded in a single-bond geometry to one B atom.