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Title: Materials Data on V3B4 by Materials Project

Abstract

V3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are eight shorter (2.30 Å) and four longer (2.36 Å) V–B bond lengths. In the second V2+ site, V2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven V2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six V2+ and three B+1.50- atoms. The B–B bond length is 1.73 Å.

Publication Date:
Other Number(s):
mp-569270
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; V3B4; B-V
OSTI Identifier:
1275009
DOI:
10.17188/1275009

Citation Formats

The Materials Project. Materials Data on V3B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275009.
The Materials Project. Materials Data on V3B4 by Materials Project. United States. doi:10.17188/1275009.
The Materials Project. 2020. "Materials Data on V3B4 by Materials Project". United States. doi:10.17188/1275009. https://www.osti.gov/servlets/purl/1275009. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275009,
title = {Materials Data on V3B4 by Materials Project},
author = {The Materials Project},
abstractNote = {V3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are eight shorter (2.30 Å) and four longer (2.36 Å) V–B bond lengths. In the second V2+ site, V2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven V2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six V2+ and three B+1.50- atoms. The B–B bond length is 1.73 Å.},
doi = {10.17188/1275009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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