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Title: Materials Data on VMoO5 by Materials Project

Abstract

VMoO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VMoO5 sheet oriented in the (0, 1, 0) direction. V4+ 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. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent V4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1100912
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; VMoO5; Mo-O-V
OSTI Identifier:
1729601
DOI:
https://doi.org/10.17188/1729601

Citation Formats

The Materials Project. Materials Data on VMoO5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1729601.
The Materials Project. Materials Data on VMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1729601
The Materials Project. 2018. "Materials Data on VMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1729601. https://www.osti.gov/servlets/purl/1729601. Pub date:Fri Jul 13 00:00:00 EDT 2018
@article{osti_1729601,
title = {Materials Data on VMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {VMoO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VMoO5 sheet oriented in the (0, 1, 0) direction. V4+ 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. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent V4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.},
doi = {10.17188/1729601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}