Materials Data on YbB4 by Materials Project

Abstract

YbB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Yb–B bond distances ranging from 2.73–3.09 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted trigonal planar geometry to six equivalent Yb and three B atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Yb and five B atoms. There is one shorter (1.67 Å) and four longer (1.75 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Yb and five B atoms. Both B–B bond lengths are 1.81 Å.