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Title: Materials Data on V6Ga5 by Materials Project

Abstract

V6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six V and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing VV6Ga6 cuboctahedra. There are two shorter (2.56 Å) and four longer (2.83 Å) V–V bond lengths. There are four shorter (2.57 Å) and two longer (2.77 Å) V–Ga bond lengths. In the second V site, V is bonded in a 7-coordinate geometry to four equivalent V and seven Ga atoms. There are a spread of V–Ga bond distances ranging from 2.60–2.72 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent V and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.56 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine V atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight V atoms.

Publication Date:
Other Number(s):
mp-571557
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; V6Ga5; Ga-V
OSTI Identifier:
1276321
DOI:
10.17188/1276321

Citation Formats

The Materials Project. Materials Data on V6Ga5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1276321.
The Materials Project. Materials Data on V6Ga5 by Materials Project. United States. doi:10.17188/1276321.
The Materials Project. 2019. "Materials Data on V6Ga5 by Materials Project". United States. doi:10.17188/1276321. https://www.osti.gov/servlets/purl/1276321. Pub date:Tue Jun 04 00:00:00 EDT 2019
@article{osti_1276321,
title = {Materials Data on V6Ga5 by Materials Project},
author = {The Materials Project},
abstractNote = {V6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six V and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing VV6Ga6 cuboctahedra. There are two shorter (2.56 Å) and four longer (2.83 Å) V–V bond lengths. There are four shorter (2.57 Å) and two longer (2.77 Å) V–Ga bond lengths. In the second V site, V is bonded in a 7-coordinate geometry to four equivalent V and seven Ga atoms. There are a spread of V–Ga bond distances ranging from 2.60–2.72 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent V and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.56 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine V atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight V atoms.},
doi = {10.17188/1276321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}

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