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Title: Materials Data on Si3Ru4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262917· OSTI ID:1262917

Ru4Si3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.43–2.79 Å. In the second Ru3+ site, Ru3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.52–2.66 Å. In the third Ru3+ site, Ru3+ is bonded in a distorted body-centered cubic geometry to eight Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.46–3.01 Å. In the fourth Ru3+ site, Ru3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.41–2.85 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight Ru3+ atoms. In the second Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to eight Ru3+ atoms. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Ru3+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1262917
Report Number(s):
mp-510412
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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