Materials Data on PuB4 by Materials Project

Abstract

PuB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.72–3.03 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.62 Å) and four longer (1.76 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.71 Å) and two longer (1.82 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Pu6+ and three B+1.50- atoms. The B–B bond length is 1.75 Å.