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
- 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; VCoB3; B-Co-V
- OSTI Identifier:
- 1185088
- DOI:
- https://doi.org/10.17188/1185088
Citation Formats
The Materials Project. Materials Data on VCoB3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1185088.
The Materials Project. Materials Data on VCoB3 by Materials Project. United States. doi:https://doi.org/10.17188/1185088
The Materials Project. 2020.
"Materials Data on VCoB3 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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 = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}