U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2CoSe4 by Materials Project
Abstract
V2CoSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with six equivalent CoSe6 octahedra, edges with six equivalent VSe6 octahedra, and a faceface with one CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of V–Se bond distances ranging from 2.42–2.71 Å. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent VSe6 octahedra, edges with two equivalent CoSe6 octahedra, and faces with two equivalent VSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are two shorter (2.43 Å) and four longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Co2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1078200
- 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-Se-V; crystal structure; V2CoSe4
- OSTI Identifier:
- 1711722
- DOI:
- https://doi.org/10.17188/1711722
Citation Formats
Materials Data on V2CoSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711722.
Materials Data on V2CoSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1711722
2020.
"Materials Data on V2CoSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1711722. https://www.osti.gov/servlets/purl/1711722. Pub date:Sat Apr 25 20:00:00 EDT 2020
@article{osti_1711722,
title = {Materials Data on V2CoSe4 by Materials Project},
abstractNote = {V2CoSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with six equivalent CoSe6 octahedra, edges with six equivalent VSe6 octahedra, and a faceface with one CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of V–Se bond distances ranging from 2.42–2.71 Å. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent VSe6 octahedra, edges with two equivalent CoSe6 octahedra, and faces with two equivalent VSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are two shorter (2.43 Å) and four longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Co2+ atoms.},
doi = {10.17188/1711722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}