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Title: Materials Data on VPbOF5 by Materials Project

Abstract

VPbOF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. V5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 1.60 Å. There are four shorter (1.87 Å) and one longer (2.16 Å) V–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Pb–F bond lengths. O2- is bonded in a single-bond geometry to one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Pb2+ atoms. 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.

Publication Date:
Other Number(s):
mp-1195912
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VPbOF5; F-O-Pb-V
OSTI Identifier:
1677366
DOI:
https://doi.org/10.17188/1677366

Citation Formats

The Materials Project. Materials Data on VPbOF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677366.
The Materials Project. Materials Data on VPbOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1677366
The Materials Project. 2020. "Materials Data on VPbOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1677366. https://www.osti.gov/servlets/purl/1677366. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677366,
title = {Materials Data on VPbOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {VPbOF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. V5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 1.60 Å. There are four shorter (1.87 Å) and one longer (2.16 Å) V–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Pb–F bond lengths. O2- is bonded in a single-bond geometry to one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Pb2+ atoms. 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.},
doi = {10.17188/1677366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}