Materials Data on Ca2CoW by Materials Project

Abstract

Ca2WCo crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent W atoms to form distorted CaW4 tetrahedra that share corners with twenty-four CaW4 tetrahedra and faces with four equivalent CaCo4W6 tetrahedra. All Ca–W bond lengths are 2.95 Å. In the second Ca site, Ca is bonded to six equivalent W and four equivalent Co atoms to form a mixture of distorted face and corner-sharing CaCo4W6 tetrahedra. All Ca–W bond lengths are 3.40 Å. All Ca–Co bond lengths are 2.95 Å. W is bonded in a distorted body-centered cubic geometry to ten Ca and four equivalent Co atoms. All W–Co bond lengths are 2.95 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent W atoms.