U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoNiSe2 by Materials Project
Abstract
CoNiSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent NiSe6 octahedra, edges with six equivalent CoSe6 octahedra, and faces with two equivalent NiSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Se bond lengths are 2.44 Å. Ni2+ is bonded to six equivalent Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with six equivalent NiSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Se bond lengths are 2.51 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Co2+ and three equivalent Ni2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226013
- 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; CoNiSe2; Co-Ni-Se
- OSTI Identifier:
- 1706044
- DOI:
- https://doi.org/10.17188/1706044
Citation Formats
The Materials Project. Materials Data on CoNiSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706044.
The Materials Project. Materials Data on CoNiSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1706044
The Materials Project. 2020.
"Materials Data on CoNiSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1706044. https://www.osti.gov/servlets/purl/1706044. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706044,
title = {Materials Data on CoNiSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoNiSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent NiSe6 octahedra, edges with six equivalent CoSe6 octahedra, and faces with two equivalent NiSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Se bond lengths are 2.44 Å. Ni2+ is bonded to six equivalent Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with six equivalent NiSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Se bond lengths are 2.51 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Co2+ and three equivalent Ni2+ atoms.},
doi = {10.17188/1706044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}