Materials Data on HfMn by Materials Project

Abstract

HfMn crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 6-coordinate geometry to eight equivalent Hf and six Mn atoms. There are four shorter (3.03 Å) and four longer (3.25 Å) Hf–Hf bond lengths. There are two shorter (2.86 Å) and four longer (2.91 Å) Hf–Mn bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Hf and six equivalent Mn atoms to form a mixture of face and corner-sharing MnHf6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Hf and six Mn atoms to form a mixture of distorted face and corner-sharing MnHf6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å.