U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2ZnO5 by Materials Project
Abstract
V2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mvc-11970
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; O-V-Zn; V2ZnO5
- OSTI Identifier:
- 1318378
- DOI:
- https://doi.org/10.17188/1318378
Citation Formats
Materials Data on V2ZnO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318378.
Materials Data on V2ZnO5 by Materials Project. United States. doi:https://doi.org/10.17188/1318378
2020.
"Materials Data on V2ZnO5 by Materials Project". United States. doi:https://doi.org/10.17188/1318378. https://www.osti.gov/servlets/purl/1318378. Pub date:Fri Jul 17 20:00:00 EDT 2020
@article{osti_1318378,
title = {Materials Data on V2ZnO5 by Materials Project},
abstractNote = {V2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1318378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}