U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2Ni(H4O5)2 by Materials Project
Abstract
H4NiO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one H4NiO8V2 framework. In the H4NiO8V2 framework, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.07 Å. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.03–2.14 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, 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 trigonal non-coplanar geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one Ni2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1179599
- 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; H-Ni-O-V; V2Ni(H4O5)2; crystal structure
- OSTI Identifier:
- 1731511
- DOI:
- https://doi.org/10.17188/1731511
Citation Formats
Materials Data on V2Ni(H4O5)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1731511.
Materials Data on V2Ni(H4O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1731511
2019.
"Materials Data on V2Ni(H4O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1731511. https://www.osti.gov/servlets/purl/1731511. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1731511,
title = {Materials Data on V2Ni(H4O5)2 by Materials Project},
abstractNote = {H4NiO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one H4NiO8V2 framework. In the H4NiO8V2 framework, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.07 Å. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.03–2.14 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, 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 trigonal non-coplanar geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one Ni2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms.},
doi = {10.17188/1731511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jan 10 23:00:00 EST 2019},
month = {Thu Jan 10 23:00:00 EST 2019}
}