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Materials Data on Be2V by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Be12V by Materials Project

Be12V crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a distorted q6 geometry to ten Be and two equivalent V atoms. There are a spread of Be–Be bond distances ranging from 2.10–2.34 Å. Both Be–V bond lengths are 2.58 Å. In the second Be site, Be is bonded in a 10-coordinate geometry to nine Be and one V atom. There are one shorter (2.18 Å) and four longer (2.20 Å) Be–Be bond lengths. The Be–V bond length is 2.52 Å. In the third Be site, Be is bonded to ten Be and two equivalent V atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10V2 cuboctahedra. Both Be–Be bond lengths are 2.08 Å. Both Be–V bond lengths are 2.75 Å. V is bonded in a 12-coordinate geometry to twenty Be atoms.

36 MATERIALS SCIENCE↗