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Title: Materials Data on NdSi3Ru by Materials Project

Abstract

NdRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd2+ is bonded to twelve Si+1.33- atoms to form a mixture of face, edge, and corner-sharing NdSi12 cuboctahedra. There are a spread of Nd–Si bond distances ranging from 3.10–3.36 Å. Ru2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.37 Å) Ru–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Nd2+, one Ru2+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Nd2+, two equivalent Ru2+, and two equivalent Si+1.33- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1069041
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; NdSi3Ru; Nd-Ru-Si
OSTI Identifier:
1717257
DOI:
https://doi.org/10.17188/1717257

Citation Formats

The Materials Project. Materials Data on NdSi3Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717257.
The Materials Project. Materials Data on NdSi3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1717257
The Materials Project. 2020. "Materials Data on NdSi3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1717257. https://www.osti.gov/servlets/purl/1717257. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1717257,
title = {Materials Data on NdSi3Ru by Materials Project},
author = {The Materials Project},
abstractNote = {NdRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd2+ is bonded to twelve Si+1.33- atoms to form a mixture of face, edge, and corner-sharing NdSi12 cuboctahedra. There are a spread of Nd–Si bond distances ranging from 3.10–3.36 Å. Ru2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.37 Å) Ru–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Nd2+, one Ru2+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Nd2+, two equivalent Ru2+, and two equivalent Si+1.33- atoms.},
doi = {10.17188/1717257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}