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Title: Materials Data on Si3Ru by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315928· OSTI ID:1315928

RuSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru4+ is bonded in a distorted body-centered cubic geometry to fourteen Si+1.33- atoms. There are eight shorter (2.61 Å) and six longer (3.01 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 body-centered cubic geometry to four equivalent Ru4+ and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.61 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six equivalent Ru4+ and eight equivalent Si+1.33- 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:
1315928
Report Number(s):
mp-978509
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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