Materials Data on Be2Cr by Materials Project

Abstract

Be2Cr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.06–2.14 Å. There are two shorter (2.45 Å) and four longer (2.47 Å) Be–Cr bond lengths. In the second Be site, Be is bonded to six equivalent Be and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing BeBe6Cr6 cuboctahedra. All Be–Cr bond lengths are 2.46 Å. Cr is bonded in a 12-coordinate geometry to twelve Be and four equivalent Cr atoms. There are three shorter (2.56 Å) and one longer (2.62 Å) Cr–Cr bond lengths.