Materials Data on CsNaC2 by Materials Project

Abstract

CsNaC2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five C1- atoms. There are a spread of Cs–C bond distances ranging from 3.41–3.50 Å. Na1+ is bonded in a 2-coordinate geometry to six C1- atoms. There are a spread of Na–C bond distances ranging from 2.56–2.82 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, two equivalent Na1+, and one C1- atom. The C–C bond length is 1.27 Å. In the second C1- site, C1- is bonded in a 6-coordinate geometry to one Cs1+, four equivalent Na1+, and one C1- atom.