Materials Data on CaMg6Co by Materials Project

Abstract

CaMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are a spread of Ca–Mg bond distances ranging from 3.08–3.63 Å. Both Ca–Co bond lengths are 3.18 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Ca and two equivalent Co atoms. Both Mg–Co bond lengths are 2.94 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ca atoms. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Ca and one Co atom. The Mg–Co bond length is 2.73 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Co atoms. Both Mg–Co bond lengths are 3.16 Å. Co is bonded in a 10-coordinate geometry to two equivalent Ca and eight Mg atoms.