U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V3O5 by Materials Project
Abstract
V3O5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.77–2.19 Å. In the second V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of V–O bond distances ranging from 1.94–2.16 Å. In the third V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of V–O bond distances ranging from 1.99–2.09 Å. In the fourth V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are a spread of V–O bond distances ranging from 2.03–2.09 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.33+ atoms. In the second O2- site, O2- is bonded tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-622497
- 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; V3O5; O-V
- OSTI Identifier:
- 1278132
- DOI:
- https://doi.org/10.17188/1278132
Citation Formats
The Materials Project. Materials Data on V3O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278132.
The Materials Project. Materials Data on V3O5 by Materials Project. United States. doi:https://doi.org/10.17188/1278132
The Materials Project. 2020.
"Materials Data on V3O5 by Materials Project". United States. doi:https://doi.org/10.17188/1278132. https://www.osti.gov/servlets/purl/1278132. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1278132,
title = {Materials Data on V3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {V3O5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.77–2.19 Å. In the second V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of V–O bond distances ranging from 1.94–2.16 Å. In the third V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of V–O bond distances ranging from 1.99–2.09 Å. In the fourth V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are a spread of V–O bond distances ranging from 2.03–2.09 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.33+ atoms. In the second O2- site, O2- is bonded to four V+3.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three V+3.33+ atoms. In the fourth O2- site, O2- is bonded to four V+3.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the fifth O2- site, O2- is bonded to four V+3.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the sixth O2- site, O2- is bonded to four V+3.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids.},
doi = {10.17188/1278132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}