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Title: Materials Data on Nd2Al3Ge by Materials Project

Abstract

Nd2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to ten Al and two equivalent Ge atoms to form a mixture of face and edge-sharing NdAl10Ge2 cuboctahedra. There are a spread of Nd–Al bond distances ranging from 3.28–3.32 Å. Both Nd–Ge bond lengths are 3.29 Å. In the second Nd site, Nd is bonded to eight Al and four equivalent Ge atoms to form a mixture of face and edge-sharing NdAl8Ge4 cuboctahedra. There are a spread of Nd–Al bond distances ranging from 3.28–3.31 Å. All Nd–Ge bond lengths are 3.27 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Nd and three Al atoms. There are two shorter (2.51 Å) and one longer (2.52 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to six Nd, one Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.52 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to sixmore » Nd, two equivalent Al, and one Ge atom. The Al–Ge bond length is 2.49 Å. Ge is bonded in a distorted trigonal planar geometry to six Nd and three Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1220330
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; Nd2Al3Ge; Al-Ge-Nd
OSTI Identifier:
1655295
DOI:
https://doi.org/10.17188/1655295

Citation Formats

The Materials Project. Materials Data on Nd2Al3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655295.
The Materials Project. Materials Data on Nd2Al3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1655295
The Materials Project. 2020. "Materials Data on Nd2Al3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1655295. https://www.osti.gov/servlets/purl/1655295. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655295,
title = {Materials Data on Nd2Al3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to ten Al and two equivalent Ge atoms to form a mixture of face and edge-sharing NdAl10Ge2 cuboctahedra. There are a spread of Nd–Al bond distances ranging from 3.28–3.32 Å. Both Nd–Ge bond lengths are 3.29 Å. In the second Nd site, Nd is bonded to eight Al and four equivalent Ge atoms to form a mixture of face and edge-sharing NdAl8Ge4 cuboctahedra. There are a spread of Nd–Al bond distances ranging from 3.28–3.31 Å. All Nd–Ge bond lengths are 3.27 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Nd and three Al atoms. There are two shorter (2.51 Å) and one longer (2.52 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to six Nd, one Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.52 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to six Nd, two equivalent Al, and one Ge atom. The Al–Ge bond length is 2.49 Å. Ge is bonded in a distorted trigonal planar geometry to six Nd and three Al atoms.},
doi = {10.17188/1655295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}