U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VPO5 by Materials Project
Abstract
VOPO4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one VOPO4 sheet oriented in the (0, 0, 1) direction. V5+ is bonded to five O2- atoms to form distorted VO5 square pyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and four longer (1.90 Å) V–O bond length. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent VO5 square pyramids. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-763482
- 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; VPO5; O-P-V
- OSTI Identifier:
- 1293563
- DOI:
- https://doi.org/10.17188/1293563
Citation Formats
The Materials Project. Materials Data on VPO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293563.
The Materials Project. Materials Data on VPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1293563
The Materials Project. 2020.
"Materials Data on VPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1293563. https://www.osti.gov/servlets/purl/1293563. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1293563,
title = {Materials Data on VPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {VOPO4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one VOPO4 sheet oriented in the (0, 0, 1) direction. V5+ is bonded to five O2- atoms to form distorted VO5 square pyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and four longer (1.90 Å) V–O bond length. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent VO5 square pyramids. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1293563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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