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Title: Materials Data on V5B6 by Materials Project

Abstract

V5B6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.24–2.33 Å. In the second V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. In the third V+2.40+ site, V+2.40+ is bonded to twelve B2- 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. There are three inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.76 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to six V+2.40+ and three B2- atoms. The B–B bond length is 1.73 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.80 Å.

Publication Date:
Other Number(s):
mp-1206441
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; V5B6; B-V
OSTI Identifier:
1744082
DOI:
https://doi.org/10.17188/1744082

Citation Formats

The Materials Project. Materials Data on V5B6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744082.
The Materials Project. Materials Data on V5B6 by Materials Project. United States. doi:https://doi.org/10.17188/1744082
The Materials Project. 2020. "Materials Data on V5B6 by Materials Project". United States. doi:https://doi.org/10.17188/1744082. https://www.osti.gov/servlets/purl/1744082. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744082,
title = {Materials Data on V5B6 by Materials Project},
author = {The Materials Project},
abstractNote = {V5B6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.24–2.33 Å. In the second V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. In the third V+2.40+ site, V+2.40+ is bonded to twelve B2- 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. There are three inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.76 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to six V+2.40+ and three B2- atoms. The B–B bond length is 1.73 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.80 Å.},
doi = {10.17188/1744082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}