Materials Data on Mn6Ni16Ge7 by Materials Project

Abstract

Ni16Mn6Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent Mn, eight Ni, and four equivalent Ge atoms. All Mn–Mn bond lengths are 2.33 Å. There are four shorter (2.62 Å) and four longer (3.23 Å) Mn–Ni bond lengths. All Mn–Ge bond lengths are 3.03 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn and four Ge atoms. There are one shorter (2.29 Å) and three longer (2.48 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Mn and eight Ni atoms. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.