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Title: Materials Data on VPN2O5 by Materials Project

Abstract

VOPO4N2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of four ammonia molecules and one VOPO4 ribbon oriented in the (0, 1, 0) direction. In the VOPO4 ribbon, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.60–1.85 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.47–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.

Publication Date:
Other Number(s):
mp-1207866
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; VPN2O5; N-O-P-V
OSTI Identifier:
1680257
DOI:
https://doi.org/10.17188/1680257

Citation Formats

The Materials Project. Materials Data on VPN2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680257.
The Materials Project. Materials Data on VPN2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1680257
The Materials Project. 2020. "Materials Data on VPN2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1680257. https://www.osti.gov/servlets/purl/1680257. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680257,
title = {Materials Data on VPN2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {VOPO4N2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of four ammonia molecules and one VOPO4 ribbon oriented in the (0, 1, 0) direction. In the VOPO4 ribbon, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.60–1.85 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.47–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1680257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}