Materials Data on B by Materials Project

Abstract

B crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve 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 1.65–2.04 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.70–1.75 Å. In the third B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.77–2.07 Å. In the fourth B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.99 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.66–2.15 Å. In the sixth 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 1.77–2.08 Å. In the seventh B site, B is bonded in a 7-coordinate geometry to seven B atoms. The B–B bond length is 1.67 Å. In the eighth B site, B is bonded in a 4-coordinate geometry to six B atoms. There is two shorter (1.68 Å) and one longer (2.18 Å) B–B bond length. In the ninth 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 1.69–1.91 Å. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.84 Å) and one longer (1.88 Å) B–B bond length. In the eleventh B site, B is bonded in a distorted trigonal planar geometry to four B atoms. In the twelfth B site, B is bonded in a 2-coordinate geometry to eight B atoms.