Materials Data on Sn5(BIr3)2 by Materials Project

Abstract

Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to six equivalent Ir and one B atom.