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Title: Materials Data on VPPb3O8 by Materials Project

Abstract

VPb3PO8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.74 Å) V–O bond length. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted single-bond geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.07 Å. In the second Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.92 Å. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.58 Å) and three longer (2.68 Å) Pb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2-more » is bonded in a distorted single-bond geometry to four Pb2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ and four Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1216362
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; VPPb3O8; O-P-Pb-V
OSTI Identifier:
1663622
DOI:
https://doi.org/10.17188/1663622

Citation Formats

The Materials Project. Materials Data on VPPb3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663622.
The Materials Project. Materials Data on VPPb3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1663622
The Materials Project. 2020. "Materials Data on VPPb3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1663622. https://www.osti.gov/servlets/purl/1663622. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1663622,
title = {Materials Data on VPPb3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {VPb3PO8 crystallizes in the trigonal R3m space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.74 Å) V–O bond length. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted single-bond geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.07 Å. In the second Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.92 Å. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.58 Å) and three longer (2.68 Å) Pb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Pb2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ and four Pb2+ atoms.},
doi = {10.17188/1663622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}