Materials Data on PrB4 by Materials Project

Abstract

PrB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Pr–B bond distances ranging from 2.79–3.14 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Pr and five B atoms. There is one shorter (1.70 Å) and four longer (1.78 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Pr and five B atoms. There is one shorter (1.77 Å) and two longer (1.83 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Pr and three B atoms. The B–B bond length is 1.81 Å.