U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2PbO6 by Materials Project
Abstract
PbV2O6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.86 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.69 Å) and two longer (1.84 Å) V–O bond length. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (3.10 Å) Pb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two V5+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a linearmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-649492
- 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; V2PbO6; O-Pb-V
- OSTI Identifier:
- 1280894
- DOI:
- https://doi.org/10.17188/1280894
Citation Formats
The Materials Project. Materials Data on V2PbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280894.
The Materials Project. Materials Data on V2PbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1280894
The Materials Project. 2020.
"Materials Data on V2PbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1280894. https://www.osti.gov/servlets/purl/1280894. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280894,
title = {Materials Data on V2PbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {PbV2O6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.86 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.69 Å) and two longer (1.84 Å) V–O bond length. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (3.10 Å) Pb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two V5+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom.},
doi = {10.17188/1280894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}