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Title: Materials Data on V2MoO8 by Materials Project

Abstract

MoV2O8 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MoV2O8 sheet oriented in the (0, 1, 0) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.00 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–1.99 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–1.93 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to onemore » V5+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one V5+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo6+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1216790
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; V2MoO8; Mo-O-V
OSTI Identifier:
1705522
DOI:
https://doi.org/10.17188/1705522

Citation Formats

The Materials Project. Materials Data on V2MoO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705522.
The Materials Project. Materials Data on V2MoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1705522
The Materials Project. 2020. "Materials Data on V2MoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1705522. https://www.osti.gov/servlets/purl/1705522. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705522,
title = {Materials Data on V2MoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {MoV2O8 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MoV2O8 sheet oriented in the (0, 1, 0) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.00 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–1.99 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–1.93 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one V5+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo6+ atoms.},
doi = {10.17188/1705522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}