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Title: Materials Data on V2Pb(OF4)2 by Materials Project

Abstract

V2Pb(OF4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one V2Pb(OF4)2 sheet oriented in the (0, 0, 1) direction. V5+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The V–O bond length is 1.59 Å. There are a spread of V–F bond distances ranging from 1.84–1.89 Å. Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.52–2.83 Å. O2- is bonded in a single-bond geometry to one V5+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1104916
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; V2Pb(OF4)2; F-O-Pb-V
OSTI Identifier:
1667131
DOI:
https://doi.org/10.17188/1667131

Citation Formats

The Materials Project. Materials Data on V2Pb(OF4)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1667131.
The Materials Project. Materials Data on V2Pb(OF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667131
The Materials Project. 2018. "Materials Data on V2Pb(OF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667131. https://www.osti.gov/servlets/purl/1667131. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1667131,
title = {Materials Data on V2Pb(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V2Pb(OF4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one V2Pb(OF4)2 sheet oriented in the (0, 0, 1) direction. V5+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The V–O bond length is 1.59 Å. There are a spread of V–F bond distances ranging from 1.84–1.89 Å. Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.52–2.83 Å. O2- is bonded in a single-bond geometry to one V5+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom.},
doi = {10.17188/1667131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}