Materials Data on B13P2 by Materials Project

Abstract

B13P2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three B13P2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent B+0.23- sites. In the first B+0.23- site, B+0.23- is bonded in a cuboctahedral geometry to twelve B+0.23- atoms. There is six shorter (1.76 Å) and six longer (1.83 Å) B–B bond length. In the second B+0.23- site, B+0.23- is bonded in a 1-coordinate geometry to six B+0.23- and one P+1.50+ atom. There are a spread of B–B bond distances ranging from 1.87–1.91 Å. The B–P bond length is 2.03 Å. In the third B+0.23- site, B+0.23- is bonded in a 8-coordinate geometry to eight B+0.23- atoms. All B–B bond lengths are 1.84 Å. P+1.50+ is bonded in a distorted T-shaped geometry to three equivalent B+0.23- atoms.