U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoO3 by Materials Project
Abstract
MoO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 8–30°. There are a spread of Mo–O bond distances ranging from 1.77–2.21 Å. In the second Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 8–31°. There are a spread of Mo–O bond distances ranging from 1.77–2.21 Å. In the third Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–39°. There are a spread of Mo–O bond distances ranging from 1.78–2.21 Å. In the fourth Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–39°. There are a spread of Mo–O bond distances ranging from 1.77–2.20 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the second O2- site, O2-more »
- Publication Date:
- Other Number(s):
- mvc-14941
- 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; MoO3; crystal structure
- OSTI Identifier:
- 1319332
- DOI:
- https://doi.org/10.17188/1319332
Citation Formats
Materials Data on MoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319332.
Materials Data on MoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319332
2020.
"Materials Data on MoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319332. https://www.osti.gov/servlets/purl/1319332. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1319332,
title = {Materials Data on MoO3 by Materials Project},
abstractNote = {MoO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 8–30°. There are a spread of Mo–O bond distances ranging from 1.77–2.21 Å. In the second Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 8–31°. There are a spread of Mo–O bond distances ranging from 1.77–2.21 Å. In the third Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–39°. There are a spread of Mo–O bond distances ranging from 1.78–2.21 Å. In the fourth Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–39°. There are a spread of Mo–O bond distances ranging from 1.77–2.20 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two Mo6+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to two Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms.},
doi = {10.17188/1319332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 04:00:00 UTC 2020},
month = {Mon Jul 20 04:00:00 UTC 2020}
}