U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1220639
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Ge-Mn-Nd; Nd2MnFe3Ge4; crystal structure
- OSTI Identifier:
- 1698457
- DOI:
- https://doi.org/10.17188/1698457
Citation Formats
Materials Data on Nd2MnFe3Ge4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698457.
Materials Data on Nd2MnFe3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1698457
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},
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}
}