Materials Data on CsHC2 by Materials Project

Abstract

CsC2H crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to nine C1- and one H1+ atom. There are a spread of Cs–C bond distances ranging from 3.38–3.71 Å. The Cs–H bond length is 3.40 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one C1-, and one H1+ atom. The C–C bond length is 1.25 Å. The C–H bond length is 1.08 Å. In the second C1- site, C1- is bonded in a 6-coordinate geometry to five equivalent Cs1+ and one C1- atom. H1+ is bonded in a single-bond geometry to one Cs1+ and one C1- atom.