Materials Data on Be2V by Materials Project

Abstract

VBe2 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 equivalent Be and six equivalent V atoms to form a mixture of corner, edge, and face-sharing BeBe6V6 cuboctahedra. All Be–Be bond lengths are 2.19 Å. All Be–V bond lengths are 2.57 Å. In the second Be site, Be is bonded to six Be and six equivalent V atoms to form a mixture of corner, edge, and face-sharing BeBe6V6 cuboctahedra. There are two shorter (2.12 Å) and two longer (2.24 Å) Be–Be bond lengths. There are four shorter (2.53 Å) and two longer (2.55 Å) Be–V bond lengths. V is bonded in a 12-coordinate geometry to twelve Be and four equivalent V atoms. There are one shorter (2.57 Å) and three longer (2.70 Å) V–V bond lengths.