Materials Data on LaB4 by Materials Project

Abstract

LaB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of La–B bond distances ranging from 2.81–3.14 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.72 Å) and four longer (1.79 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.77 Å) and two longer (1.84 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent La and three B atoms. The B–B bond length is 1.84 Å.