U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V(CoSe2)2 by Materials Project
Abstract
V(CoSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with two equivalent VSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (2.52 Å) and four longer (2.53 Å) V–Se bond lengths. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with six equivalent VSe6 octahedra, edges with six equivalent CoSe6 octahedra, and a faceface with one VSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Se bond distances ranging from 2.35–2.49 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent V4+ and three equivalent Co2+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one V4+ and three equivalent Co2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025322
- 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; V(CoSe2)2; Co-Se-V
- OSTI Identifier:
- 1355272
- DOI:
- https://doi.org/10.17188/1355272
Citation Formats
The Materials Project. Materials Data on V(CoSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355272.
The Materials Project. Materials Data on V(CoSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355272
The Materials Project. 2020.
"Materials Data on V(CoSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355272. https://www.osti.gov/servlets/purl/1355272. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1355272,
title = {Materials Data on V(CoSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V(CoSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with two equivalent VSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (2.52 Å) and four longer (2.53 Å) V–Se bond lengths. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with six equivalent VSe6 octahedra, edges with six equivalent CoSe6 octahedra, and a faceface with one VSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Se bond distances ranging from 2.35–2.49 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent V4+ and three equivalent Co2+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one V4+ and three equivalent Co2+ atoms.},
doi = {10.17188/1355272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}