U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VHO3 by Materials Project
Abstract
V2O5H2O crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two water molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.09 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-627119
- 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; VHO3; H-O-V
- OSTI Identifier:
- 1278862
- DOI:
- https://doi.org/10.17188/1278862
Citation Formats
The Materials Project. Materials Data on VHO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278862.
The Materials Project. Materials Data on VHO3 by Materials Project. United States. doi:https://doi.org/10.17188/1278862
The Materials Project. 2020.
"Materials Data on VHO3 by Materials Project". United States. doi:https://doi.org/10.17188/1278862. https://www.osti.gov/servlets/purl/1278862. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278862,
title = {Materials Data on VHO3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2O5H2O crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two water molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.09 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1278862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}