Materials Data on B3Ir2 by Materials Project
Ir2B3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ir+4.50+ sites. In the first Ir+4.50+ site, Ir+4.50+ is bonded to six B3- atoms to form distorted edge-sharing IrB6 pentagonal pyramids. There are a spread of Ir–B bond distances ranging from 2.15–2.21 Å. In the second Ir+4.50+ site, Ir+4.50+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Ir–B bond distances ranging from 2.13–2.57 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 8-coordinate geometry to four Ir+4.50+ and four B3- atoms. There are two shorter (2.04 Å) and two longer (2.25 Å) B–B bond lengths. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four Ir+4.50+ and three B3- atoms. The B–B bond length is 1.89 Å. In the third B3- site, B3- is bonded in a 8-coordinate geometry to six Ir+4.50+ and two equivalent B3- atoms. Both B–B bond lengths are 1.84 Å.