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Title: Materials Data on V4NO11 by Materials Project

Abstract

(V2O5)2NO crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two nitroxyl molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.05 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216776
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; V4NO11; N-O-V
OSTI Identifier:
1733220
DOI:
https://doi.org/10.17188/1733220

Citation Formats

The Materials Project. Materials Data on V4NO11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733220.
The Materials Project. Materials Data on V4NO11 by Materials Project. United States. doi:https://doi.org/10.17188/1733220
The Materials Project. 2020. "Materials Data on V4NO11 by Materials Project". United States. doi:https://doi.org/10.17188/1733220. https://www.osti.gov/servlets/purl/1733220. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1733220,
title = {Materials Data on V4NO11 by Materials Project},
author = {The Materials Project},
abstractNote = {(V2O5)2NO crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two nitroxyl molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.05 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms.},
doi = {10.17188/1733220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}