Materials Data on CaC2 by Materials Project

Abstract

CaC2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.55–2.83 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to seven C1- atoms. There are a spread of Ca–C bond distances ranging from 2.54–2.84 Å. There are four inequivalent C1- sites. In the first C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the second C1- site, C1- is bonded in a 4-coordinate geometry to three Ca2+ and one C1- atom. In the third C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom. The C–C bond length is 1.26 Å. In the fourth C1- site, C1- is bonded in a 5-coordinate geometry to four Ca2+ and one C1- atom.