Materials Data on Co3Cl by Materials Project

Abstract

Co3Cl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Co and four equivalent Cl atoms to form a mixture of distorted face, edge, and corner-sharing CoCo4Cl4 tetrahedra. All Co–Co bond lengths are 2.54 Å. All Co–Cl bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Cl atoms. All Co–Cl bond lengths are 2.93 Å. Cl is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.