Materials Data on Mn2FeGe5 by Materials Project

Abstract

Mn2FeGe5 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.37 Å) and two longer (2.61 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.36–2.81 Å. Fe is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.41–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Mn and two equivalent Fe atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four Mn and one Fe atom. In the third Ge site, Ge is bonded in a 4-coordinate geometry to two Mn and two equivalent Fe atoms.