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Title: Materials Data on V2GaSn2 by Materials Project

Abstract

V2GaSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 11-coordinate geometry to three V, four equivalent Ga, and four Sn atoms. There are one shorter (2.81 Å) and two longer (2.84 Å) V–V bond lengths. There are two shorter (2.57 Å) and two longer (2.69 Å) V–Ga bond lengths. There are a spread of V–Sn bond distances ranging from 2.76–2.91 Å. In the second V site, V is bonded in a 11-coordinate geometry to four V, one Ga, and six Sn atoms. Both V–V bond lengths are 2.80 Å. The V–Ga bond length is 2.65 Å. There are a spread of V–Sn bond distances ranging from 2.76–2.90 Å. Ga is bonded in a 11-coordinate geometry to five V, two equivalent Ga, and four equivalent Sn atoms. Both Ga–Ga bond lengths are 2.80 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five V atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometrymore » to five V and four equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-640159
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; V2GaSn2; Ga-Sn-V
OSTI Identifier:
1279907
DOI:
10.17188/1279907

Citation Formats

The Materials Project. Materials Data on V2GaSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279907.
The Materials Project. Materials Data on V2GaSn2 by Materials Project. United States. doi:10.17188/1279907.
The Materials Project. 2020. "Materials Data on V2GaSn2 by Materials Project". United States. doi:10.17188/1279907. https://www.osti.gov/servlets/purl/1279907. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1279907,
title = {Materials Data on V2GaSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {V2GaSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 11-coordinate geometry to three V, four equivalent Ga, and four Sn atoms. There are one shorter (2.81 Å) and two longer (2.84 Å) V–V bond lengths. There are two shorter (2.57 Å) and two longer (2.69 Å) V–Ga bond lengths. There are a spread of V–Sn bond distances ranging from 2.76–2.91 Å. In the second V site, V is bonded in a 11-coordinate geometry to four V, one Ga, and six Sn atoms. Both V–V bond lengths are 2.80 Å. The V–Ga bond length is 2.65 Å. There are a spread of V–Sn bond distances ranging from 2.76–2.90 Å. Ga is bonded in a 11-coordinate geometry to five V, two equivalent Ga, and four equivalent Sn atoms. Both Ga–Ga bond lengths are 2.80 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five V atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five V and four equivalent Ga atoms.},
doi = {10.17188/1279907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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