Materials Data on MnBe2 by Materials Project

Abstract

Be2Mn 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 Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. All Be–Be bond lengths are 2.08 Å. All Be–Mn bond lengths are 2.43 Å. In the second Be site, Be is bonded to six Be and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BeMn6Be6 cuboctahedra. There are two shorter (2.03 Å) and two longer (2.12 Å) Be–Be bond lengths. There are two shorter (2.40 Å) and four longer (2.44 Å) Be–Mn bond lengths. Mn is bonded in a 12-coordinate geometry to twelve Be and four equivalent Mn atoms. There are three shorter (2.53 Å) and one longer (2.56 Å) Mn–Mn bond lengths.