Materials Data on V2O3 by Materials Project
Abstract
V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.99–2.14 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.98–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-715514
- 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; V2O3; O-V
- OSTI Identifier:
- 1287055
- DOI:
- https://doi.org/10.17188/1287055
Citation Formats
The Materials Project. Materials Data on V2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287055.
The Materials Project. Materials Data on V2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1287055
The Materials Project. 2020.
"Materials Data on V2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1287055. https://www.osti.gov/servlets/purl/1287055. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287055,
title = {Materials Data on V2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.99–2.14 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.98–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O2- site, O2- is bonded to four V3+ atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids.},
doi = {10.17188/1287055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}