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Title: Materials Data on Si3Os2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192057· OSTI ID:1192057

Os2Si3 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 8-coordinate geometry to eight Si+1.33+ atoms. There are four shorter (2.46 Å) and four longer (2.61 Å) Os–Si bond lengths. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to six Si+1.33+ atoms. There are four shorter (2.33 Å) and two longer (2.65 Å) Os–Si bond lengths. In the third Os2- site, Os2- is bonded in a 6-coordinate geometry to eight Si+1.33+ atoms. There are a spread of Os–Si bond distances ranging from 2.37–2.89 Å. There are two inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a distorted pentagonal planar geometry to five Os2- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 5-coordinate geometry to five Os2- 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:
1192057
Report Number(s):
mp-16609
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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