Materials Data on B by Materials Project

Abstract

B is T-50 Boron-like structured and crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are four inequivalent B sites. In the first 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 1.73–1.89 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 1.69–1.77 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.73 Å) and one longer (1.75 Å) B–B bond length. In the fourth B site, B is bonded in a 5-coordinate geometry to five B atoms.