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Title: Materials Data on Nd2Si3Ni by Materials Project

Abstract

Nd2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing NdSi9Ni3 cuboctahedra. All Nd–Ni bond lengths are 3.10 Å. There are three shorter (3.10 Å) and six longer (3.21 Å) Nd–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Ni–Si bond lengths are 2.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-1220388
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; Nd2Si3Ni; Nd-Ni-Si
OSTI Identifier:
1689121
DOI:
https://doi.org/10.17188/1689121

Citation Formats

The Materials Project. Materials Data on Nd2Si3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689121.
The Materials Project. Materials Data on Nd2Si3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1689121
The Materials Project. 2020. "Materials Data on Nd2Si3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1689121. https://www.osti.gov/servlets/purl/1689121. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1689121,
title = {Materials Data on Nd2Si3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing NdSi9Ni3 cuboctahedra. All Nd–Ni bond lengths are 3.10 Å. There are three shorter (3.10 Å) and six longer (3.21 Å) Nd–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Ni–Si bond lengths are 2.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms.},
doi = {10.17188/1689121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}