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Title: Materials Data on V8Ga41 by Materials Project

Abstract

V8Ga41 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.52–2.75 Å. In the second V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.53–2.79 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.95 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.99 Å. In the third Ga site, Ga is bonded in a distorted linear geometry to two equivalent V and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.79 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two V and six Ga atoms. There are a spread of Ga–Ga bondmore » distances ranging from 2.72–2.87 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and three Ga atoms. The Ga–Ga bond length is 2.84 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.93 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two V and five Ga atoms. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and five Ga atoms. In the ninth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent V and six equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-21965
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; V8Ga41; Ga-V
OSTI Identifier:
1197270
DOI:
https://doi.org/10.17188/1197270

Citation Formats

The Materials Project. Materials Data on V8Ga41 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197270.
The Materials Project. Materials Data on V8Ga41 by Materials Project. United States. doi:https://doi.org/10.17188/1197270
The Materials Project. 2020. "Materials Data on V8Ga41 by Materials Project". United States. doi:https://doi.org/10.17188/1197270. https://www.osti.gov/servlets/purl/1197270. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197270,
title = {Materials Data on V8Ga41 by Materials Project},
author = {The Materials Project},
abstractNote = {V8Ga41 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.52–2.75 Å. In the second V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.53–2.79 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.95 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.99 Å. In the third Ga site, Ga is bonded in a distorted linear geometry to two equivalent V and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.79 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.87 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and three Ga atoms. The Ga–Ga bond length is 2.84 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.93 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two V and five Ga atoms. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and five Ga atoms. In the ninth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent V and six equivalent Ga atoms.},
doi = {10.17188/1197270},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}