U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1221457
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mo-O-W; MoWO6; crystal structure
- OSTI Identifier:
- 1663572
- DOI:
- https://doi.org/10.17188/1663572
Citation Formats
Materials Data on MoWO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1663572.
Materials Data on MoWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663572
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1663572,
title = {Materials Data on MoWO6 by 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}
}