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Title: Materials Data on MoWO6 by Materials Project

Abstract

WMoO6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent MoO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are a spread of W–O bond distances ranging from 1.84–2.09 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. There are a spread of Mo–O bond distances ranging from 1.76–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1221457
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; MoWO6; Mo-O-W
OSTI Identifier:
1663572
DOI:
https://doi.org/10.17188/1663572

Citation Formats

The Materials Project. Materials Data on MoWO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663572.
The Materials Project. Materials Data on MoWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663572
The Materials Project. 2019. "Materials Data on MoWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1663572. https://www.osti.gov/servlets/purl/1663572. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663572,
title = {Materials Data on MoWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WMoO6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent MoO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are a spread of W–O bond distances ranging from 1.84–2.09 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. There are a spread of Mo–O bond distances ranging from 1.76–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom.},
doi = {10.17188/1663572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}