U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co(MoS2)2 by Materials Project
Abstract
CoMo2S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo3+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with six equivalent CoS6 octahedra, edges with six equivalent MoS6 octahedra, and a faceface with one CoS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mo–S bond distances ranging from 2.37–2.60 Å. Co2+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with twelve equivalent MoS6 octahedra, edges with two equivalent CoS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are two shorter (2.31 Å) and four longer (2.34 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Mo3+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo3+ and one Co2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-7923
- 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; Co(MoS2)2; Co-Mo-S
- OSTI Identifier:
- 1307826
- DOI:
- https://doi.org/10.17188/1307826
Citation Formats
The Materials Project. Materials Data on Co(MoS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307826.
The Materials Project. Materials Data on Co(MoS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1307826
The Materials Project. 2020.
"Materials Data on Co(MoS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1307826. https://www.osti.gov/servlets/purl/1307826. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1307826,
title = {Materials Data on Co(MoS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoMo2S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo3+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with six equivalent CoS6 octahedra, edges with six equivalent MoS6 octahedra, and a faceface with one CoS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mo–S bond distances ranging from 2.37–2.60 Å. Co2+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with twelve equivalent MoS6 octahedra, edges with two equivalent CoS6 octahedra, and faces with two equivalent MoS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are two shorter (2.31 Å) and four longer (2.34 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Mo3+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo3+ and one Co2+ atom.},
doi = {10.17188/1307826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}