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Title: Materials Data on Y3VCo8 by Materials Project

Abstract

Y3VCo8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to three equivalent V and fifteen Co atoms. All Y–V bond lengths are 2.92 Å. There are three shorter (2.92 Å) and twelve longer (3.16 Å) Y–Co bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Y–Co bond distances ranging from 2.89–3.03 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Y–Co bond distances ranging from 2.89–3.04 Å. V is bonded in a 12-coordinate geometry to three equivalent Y and nine Co atoms. There are a spread of V–Co bond distances ranging from 2.39–2.92 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to five Y, one V, and six Co atoms to form a mixture of distorted edge, face, and corner-sharing CoY5VCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.53 Å. In the second Co site, Co is bonded to five Y,more » one V, and six Co atoms to form a mixture of distorted edge, face, and corner-sharing CoY5VCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the third Co site, Co is bonded to six Y and six Co atoms to form CoY6Co6 cuboctahedra that share corners with fifteen CoY3V3Co6 cuboctahedra, edges with six equivalent CoY6Co6 cuboctahedra, and faces with nineteen CoY5VCo6 cuboctahedra. In the fourth Co site, Co is bonded to three equivalent Y, three equivalent V, and six Co atoms to form CoY3V3Co6 cuboctahedra that share corners with fifteen CoY5VCo6 cuboctahedra, edges with six equivalent CoY3V3Co6 cuboctahedra, and faces with nineteen CoY5VCo6 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1216183
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y3VCo8; Co-V-Y
OSTI Identifier:
1711447
DOI:
https://doi.org/10.17188/1711447

Citation Formats

The Materials Project. Materials Data on Y3VCo8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711447.
The Materials Project. Materials Data on Y3VCo8 by Materials Project. United States. doi:https://doi.org/10.17188/1711447
The Materials Project. 2019. "Materials Data on Y3VCo8 by Materials Project". United States. doi:https://doi.org/10.17188/1711447. https://www.osti.gov/servlets/purl/1711447. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711447,
title = {Materials Data on Y3VCo8 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3VCo8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to three equivalent V and fifteen Co atoms. All Y–V bond lengths are 2.92 Å. There are three shorter (2.92 Å) and twelve longer (3.16 Å) Y–Co bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Y–Co bond distances ranging from 2.89–3.03 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Y–Co bond distances ranging from 2.89–3.04 Å. V is bonded in a 12-coordinate geometry to three equivalent Y and nine Co atoms. There are a spread of V–Co bond distances ranging from 2.39–2.92 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to five Y, one V, and six Co atoms to form a mixture of distorted edge, face, and corner-sharing CoY5VCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.53 Å. In the second Co site, Co is bonded to five Y, one V, and six Co atoms to form a mixture of distorted edge, face, and corner-sharing CoY5VCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the third Co site, Co is bonded to six Y and six Co atoms to form CoY6Co6 cuboctahedra that share corners with fifteen CoY3V3Co6 cuboctahedra, edges with six equivalent CoY6Co6 cuboctahedra, and faces with nineteen CoY5VCo6 cuboctahedra. In the fourth Co site, Co is bonded to three equivalent Y, three equivalent V, and six Co atoms to form CoY3V3Co6 cuboctahedra that share corners with fifteen CoY5VCo6 cuboctahedra, edges with six equivalent CoY3V3Co6 cuboctahedra, and faces with nineteen CoY5VCo6 cuboctahedra.},
doi = {10.17188/1711447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}