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Title: Materials Data on CoSi4Ni by Materials Project

Abstract

CoNiSi4 is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are two shorter (2.30 Å) and six longer (2.32 Å) Co–Si bond lengths. Ni4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are six shorter (2.35 Å) and two longer (2.37 Å) Ni–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded to three equivalent Co4+, one Ni4+, and six Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCo3Si6Ni tetrahedra. There are three shorter (2.66 Å) and three longer (2.70 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded to one Co4+, three equivalent Ni4+, and three equivalent Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCoSi3Ni3 tetrahedra.

Publication Date:
Other Number(s):
mp-1226006
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; CoSi4Ni; Co-Ni-Si
OSTI Identifier:
1662363
DOI:
https://doi.org/10.17188/1662363

Citation Formats

The Materials Project. Materials Data on CoSi4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662363.
The Materials Project. Materials Data on CoSi4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1662363
The Materials Project. 2020. "Materials Data on CoSi4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1662363. https://www.osti.gov/servlets/purl/1662363. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1662363,
title = {Materials Data on CoSi4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {CoNiSi4 is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are two shorter (2.30 Å) and six longer (2.32 Å) Co–Si bond lengths. Ni4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are six shorter (2.35 Å) and two longer (2.37 Å) Ni–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded to three equivalent Co4+, one Ni4+, and six Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCo3Si6Ni tetrahedra. There are three shorter (2.66 Å) and three longer (2.70 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded to one Co4+, three equivalent Ni4+, and three equivalent Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCoSi3Ni3 tetrahedra.},
doi = {10.17188/1662363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}