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Title: 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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-763482
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; VPO5; O-P-V
OSTI Identifier:
1293563
DOI:
10.17188/1293563

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VPO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293563.
Persson, Kristin, & Project, Materials. Materials Data on VPO5 by Materials Project. United States. doi:10.17188/1293563.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on VPO5 by Materials Project". United States. doi: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 = {Persson, Kristin and Project, Materials},
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 = {2020},
month = {7}
}

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