U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VAs2H4O9 by Materials Project
Abstract
VAs2H4O9 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. V4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.45 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.74 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. The O–H bond length is 0.98 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one As5+ atom.
- Publication Date:
- Other Number(s):
- mp-1216465
- 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; As-H-O-V; VAs2H4O9; crystal structure
- OSTI Identifier:
- 1695281
- DOI:
- https://doi.org/10.17188/1695281
Citation Formats
Materials Data on VAs2H4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695281.
Materials Data on VAs2H4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1695281
2020.
"Materials Data on VAs2H4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1695281. https://www.osti.gov/servlets/purl/1695281. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1695281,
title = {Materials Data on VAs2H4O9 by Materials Project},
abstractNote = {VAs2H4O9 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. V4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.45 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.74 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. The O–H bond length is 0.98 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one As5+ atom.},
doi = {10.17188/1695281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}