Materials Data on B by Materials Project

Abstract

B is alpha boron-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are five inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.76–2.05 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.67–1.81 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.66 Å) and two longer (1.78 Å) B–B bond length. In the fourth B site, B is bonded in a 7-coordinate geometry to seven B atoms. There is one shorter (1.74 Å) and one longer (1.90 Å) B–B bond length. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. The B–B bond length is 1.73 Å.