U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoMoO4 by Materials Project
Abstract
CoMoO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Mo–O bond distances ranging from 1.82–2.16 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Co–O bond distances ranging from 2.07–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Co2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Co2+ atoms.
- Publication Date:
- Other Number(s):
- mp-19435
- 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; Co-Mo-O; CoMoO4; crystal structure
- OSTI Identifier:
- 1194449
- DOI:
- https://doi.org/10.17188/1194449
Citation Formats
Materials Data on CoMoO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194449.
Materials Data on CoMoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194449
2020.
"Materials Data on CoMoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194449. https://www.osti.gov/servlets/purl/1194449. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194449,
title = {Materials Data on CoMoO4 by Materials Project},
abstractNote = {CoMoO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Mo–O bond distances ranging from 1.82–2.16 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Co–O bond distances ranging from 2.07–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Co2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Co2+ atoms.},
doi = {10.17188/1194449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}