U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V5As3 by Materials Project
Abstract
V5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.55–2.68 Å. In the third V site, V is bonded to five As atoms to form distorted edge-sharing VAs5 square pyramids. There are a spread of V–As bond distances ranging from 2.52–2.54 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.76 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine V atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-505541
- 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; V5As3; As-V
- OSTI Identifier:
- 1262579
- DOI:
- https://doi.org/10.17188/1262579
Citation Formats
The Materials Project. Materials Data on V5As3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262579.
The Materials Project. Materials Data on V5As3 by Materials Project. United States. doi:https://doi.org/10.17188/1262579
The Materials Project. 2020.
"Materials Data on V5As3 by Materials Project". United States. doi:https://doi.org/10.17188/1262579. https://www.osti.gov/servlets/purl/1262579. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262579,
title = {Materials Data on V5As3 by Materials Project},
author = {The Materials Project},
abstractNote = {V5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.55–2.68 Å. In the third V site, V is bonded to five As atoms to form distorted edge-sharing VAs5 square pyramids. There are a spread of V–As bond distances ranging from 2.52–2.54 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.76 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine V atoms.},
doi = {10.17188/1262579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}