Materials Data on Hf2Co7 by Materials Project

Abstract

Co7Hf2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hf is bonded in a 8-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.73–2.87 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.50 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.33–2.49 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Hf and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.77 Å.