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Title: Materials Data on VCoB3 by Materials Project

Abstract

VCoB3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.29–2.37 Å. Co1+ is bonded in a 7-coordinate geometry to seven B1- atoms. There are three shorter (2.05 Å) and four longer (2.16 Å) Co–B bond lengths. There are three inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four equivalent V2+, two equivalent Co1+, and three B1- atoms. There is one shorter (1.74 Å) and two longer (1.77 Å) B–B bond length. In the second B1- site, B1- is bonded in a 9-coordinate geometry to six equivalent V2+ and three B1- atoms. Both B–B bond lengths are 1.73 Å. In the third B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent V2+, five equivalent Co1+, and two equivalent B1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-10057
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; VCoB3; B-Co-V
OSTI Identifier:
1185088
DOI:
10.17188/1185088

Citation Formats

Persson, Kristin. Materials Data on VCoB3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185088.
Persson, Kristin. Materials Data on VCoB3 by Materials Project. United States. doi:10.17188/1185088.
Persson, Kristin. 2020. "Materials Data on VCoB3 by Materials Project". United States. doi:10.17188/1185088. https://www.osti.gov/servlets/purl/1185088. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1185088,
title = {Materials Data on VCoB3 by Materials Project},
author = {Persson, Kristin},
abstractNote = {VCoB3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.29–2.37 Å. Co1+ is bonded in a 7-coordinate geometry to seven B1- atoms. There are three shorter (2.05 Å) and four longer (2.16 Å) Co–B bond lengths. There are three inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four equivalent V2+, two equivalent Co1+, and three B1- atoms. There is one shorter (1.74 Å) and two longer (1.77 Å) B–B bond length. In the second B1- site, B1- is bonded in a 9-coordinate geometry to six equivalent V2+ and three B1- atoms. Both B–B bond lengths are 1.73 Å. In the third B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent V2+, five equivalent Co1+, and two equivalent B1- atoms.},
doi = {10.17188/1185088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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