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Title: Materials Data on V2B3 by Materials Project

Abstract

V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-9208
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; V2B3; B-V
OSTI Identifier:
1313048
DOI:
https://doi.org/10.17188/1313048

Citation Formats

The Materials Project. Materials Data on V2B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313048.
The Materials Project. Materials Data on V2B3 by Materials Project. United States. doi:https://doi.org/10.17188/1313048
The Materials Project. 2020. "Materials Data on V2B3 by Materials Project". United States. doi:https://doi.org/10.17188/1313048. https://www.osti.gov/servlets/purl/1313048. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313048,
title = {Materials Data on V2B3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.},
doi = {10.17188/1313048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}