Materials Data on Nd2Mn3FeGe4 by Materials Project

Abstract

Nd2Mn3FeGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to six Mn, two equivalent Fe, and eight Ge atoms. There are two shorter (3.35 Å) and four longer (3.40 Å) Nd–Mn bond lengths. Both Nd–Fe bond lengths are 3.35 Å. There are four shorter (3.15 Å) and four longer (3.16 Å) Nd–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Nd and four equivalent Ge atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent MnNd4Ge4 tetrahedra, corners with eight equivalent FeNd4Ge4 tetrahedra, edges with six MnNd4Ge4 tetrahedra, and faces with four equivalent MnNd4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. In the second Mn site, Mn is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted MnNd4Ge4 tetrahedra that share corners with twelve MnNd4Ge4 tetrahedra, edges with six MnNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.41 Å. In the third Mn site, Mn is bonded to four equivalent Nd and four equivalent Ge atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent FeNd4Ge4 tetrahedra, corners with eight equivalent MnNd4Ge4 tetrahedra, edges with two equivalent FeNd4Ge4 tetrahedra, edges with four equivalent MnNd4Ge4 tetrahedra, and faces with four equivalent MnNd4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with twelve MnNd4Ge4 tetrahedra, edges with two equivalent MnNd4Ge4 tetrahedra, edges with four equivalent FeNd4Ge4 tetrahedra, and faces with four equivalent MnNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, two equivalent Mn, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four Mn, and one Ge atom.