U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoNiAs2 by Materials Project
Abstract
CoNiAs2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent As3- atoms to form CoAs6 octahedra that share corners with twelve equivalent NiAs6 octahedra, edges with six equivalent CoAs6 octahedra, and faces with two equivalent NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–As bond lengths are 2.41 Å. Ni2+ is bonded to six equivalent As3- atoms to form NiAs6 octahedra that share corners with twelve equivalent CoAs6 octahedra, edges with six equivalent NiAs6 octahedra, and faces with two equivalent CoAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–As bond lengths are 2.46 Å. As3- is bonded in a 6-coordinate geometry to three equivalent Co4+ and three equivalent Ni2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1226009
- 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; As-Co-Ni; CoNiAs2; crystal structure
- OSTI Identifier:
- 1727238
- DOI:
- https://doi.org/10.17188/1727238
Citation Formats
Materials Data on CoNiAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727238.
Materials Data on CoNiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1727238
2020.
"Materials Data on CoNiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1727238. https://www.osti.gov/servlets/purl/1727238. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1727238,
title = {Materials Data on CoNiAs2 by Materials Project},
abstractNote = {CoNiAs2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent As3- atoms to form CoAs6 octahedra that share corners with twelve equivalent NiAs6 octahedra, edges with six equivalent CoAs6 octahedra, and faces with two equivalent NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–As bond lengths are 2.41 Å. Ni2+ is bonded to six equivalent As3- atoms to form NiAs6 octahedra that share corners with twelve equivalent CoAs6 octahedra, edges with six equivalent NiAs6 octahedra, and faces with two equivalent CoAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–As bond lengths are 2.46 Å. As3- is bonded in a 6-coordinate geometry to three equivalent Co4+ and three equivalent Ni2+ atoms.},
doi = {10.17188/1727238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}