Materials Data on CoSe2 by Materials Project
CoSe2 is trigonal omega-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six Se2- atoms to form edge-sharing CoSe6 octahedra. There are three shorter (2.36 Å) and three longer (2.37 Å) Co–Se bond lengths. In the second Co4+ site, Co4+ is bonded to six Se2- atoms to form edge-sharing CoSe6 octahedra. There are four shorter (2.36 Å) and two longer (2.37 Å) Co–Se bond lengths. In the third Co4+ site, Co4+ is bonded to six Se2- atoms to form edge-sharing CoSe6 octahedra. There are five shorter (2.36 Å) and one longer (2.37 Å) Co–Se bond lengths. In the fourth Co4+ site, Co4+ is bonded to six Se2- atoms to form edge-sharing CoSe6 octahedra. There are two shorter (2.36 Å) and four longer (2.37 Å) Co–Se bond lengths. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the third Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the sixth Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the seventh Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the eighth Se2- site, Se2- is bonded in a 3-coordinate geometry to three Co4+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1318200
- Report Number(s):
- mvc-11438
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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