Materials Data on UMn2 by Materials Project

Abstract

UMn2 is Cubic Laves structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to two equivalent U and twelve Mn atoms. Both U–U bond lengths are 2.79 Å. There are a spread of U–Mn bond distances ranging from 2.75–3.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent U and six Mn atoms to form a mixture of face, edge, and corner-sharing MnU6Mn6 cuboctahedra. There are four shorter (2.52 Å) and two longer (2.62 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent U and six Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnU6Mn6 cuboctahedra. Both Mn–Mn bond lengths are 2.20 Å.