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Title: Materials Data on Nd2MnFe3Ge4 by Materials Project

Abstract

Nd2MnFe3Ge4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to two equivalent Mn, six Fe, and eight Ge atoms. Both Nd–Mn bond lengths are 3.34 Å. There are four shorter (3.25 Å) and two longer (3.34 Å) Nd–Fe bond lengths. There are four shorter (3.17 Å) and four longer (3.18 Å) Nd–Ge bond lengths. Mn is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted MnNd4Ge4 tetrahedra that share corners with twelve FeNd4Ge4 tetrahedra, edges with two equivalent FeNd4Ge4 tetrahedra, edges with four equivalent MnNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.42 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent FeNd4Ge4 tetrahedra, corners with eight equivalent MnNd4Ge4 tetrahedra, edges with six FeNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 Å. In the second Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share cornersmore » with twelve FeNd4Ge4 tetrahedra, edges with six FeNd4Ge4 tetrahedra, and faces with four equivalent MnNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.42 Å. In the third Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent MnNd4Ge4 tetrahedra, corners with eight equivalent FeNd4Ge4 tetrahedra, edges with two equivalent MnNd4Ge4 tetrahedra, edges with four equivalent FeNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 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 2.71 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four Fe, and one Ge atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1220639
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd2MnFe3Ge4; Fe-Ge-Mn-Nd
OSTI Identifier:
1698457
DOI:
https://doi.org/10.17188/1698457

Citation Formats

The Materials Project. Materials Data on Nd2MnFe3Ge4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698457.
The Materials Project. Materials Data on Nd2MnFe3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1698457
The Materials Project. 2020. "Materials Data on Nd2MnFe3Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1698457. https://www.osti.gov/servlets/purl/1698457. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1698457,
title = {Materials Data on Nd2MnFe3Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2MnFe3Ge4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to two equivalent Mn, six Fe, and eight Ge atoms. Both Nd–Mn bond lengths are 3.34 Å. There are four shorter (3.25 Å) and two longer (3.34 Å) Nd–Fe bond lengths. There are four shorter (3.17 Å) and four longer (3.18 Å) Nd–Ge bond lengths. Mn is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted MnNd4Ge4 tetrahedra that share corners with twelve FeNd4Ge4 tetrahedra, edges with two equivalent FeNd4Ge4 tetrahedra, edges with four equivalent MnNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.42 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent FeNd4Ge4 tetrahedra, corners with eight equivalent MnNd4Ge4 tetrahedra, edges with six FeNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 Å. In the second Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with twelve FeNd4Ge4 tetrahedra, edges with six FeNd4Ge4 tetrahedra, and faces with four equivalent MnNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.42 Å. In the third Fe site, Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent MnNd4Ge4 tetrahedra, corners with eight equivalent FeNd4Ge4 tetrahedra, edges with two equivalent MnNd4Ge4 tetrahedra, edges with four equivalent FeNd4Ge4 tetrahedra, and faces with four equivalent FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 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 2.71 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four Fe, and one Ge atom.},
doi = {10.17188/1698457},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}