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Title: Materials Data on Si3Ru2 by Materials Project

Abstract

Ru2Si3 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are four shorter (2.44 Å) and four longer (2.61 Å) Ru–Si bond lengths. In the second Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are four shorter (2.32 Å) and two longer (2.61 Å) Ru–Si bond lengths. In the third Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.35–2.89 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to five Ru2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to five Ru2+ atoms.

Publication Date:
Other Number(s):
mp-20191
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si3Ru2; Ru-Si
OSTI Identifier:
1195331
DOI:
https://doi.org/10.17188/1195331

Citation Formats

The Materials Project. Materials Data on Si3Ru2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195331.
The Materials Project. Materials Data on Si3Ru2 by Materials Project. United States. doi:https://doi.org/10.17188/1195331
The Materials Project. 2020. "Materials Data on Si3Ru2 by Materials Project". United States. doi:https://doi.org/10.17188/1195331. https://www.osti.gov/servlets/purl/1195331. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195331,
title = {Materials Data on Si3Ru2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ru2Si3 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are four shorter (2.44 Å) and four longer (2.61 Å) Ru–Si bond lengths. In the second Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are four shorter (2.32 Å) and two longer (2.61 Å) Ru–Si bond lengths. In the third Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.35–2.89 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to five Ru2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to five Ru2+ atoms.},
doi = {10.17188/1195331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}