U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co2As by Materials Project
Abstract
Co2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with ten equivalent CoAs4 tetrahedra, corners with six equivalent CoAs5 trigonal bipyramids, edges with two equivalent CoAs4 tetrahedra, and edges with six equivalent CoAs5 trigonal bipyramids. There are two shorter (2.26 Å) and two longer (2.34 Å) Co–As bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded to five As3- atoms to form distorted CoAs5 trigonal bipyramids that share corners with six equivalent CoAs4 tetrahedra, corners with ten equivalent CoAs5 trigonal bipyramids, edges with six equivalent CoAs4 tetrahedra, and edges with six equivalent CoAs5 trigonal bipyramids. There are one shorter (2.41 Å) and four longer (2.54 Å) Co–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.
- Publication Date:
- Other Number(s):
- mp-1079254
- 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; Co2As; crystal structure
- OSTI Identifier:
- 1738168
- DOI:
- https://doi.org/10.17188/1738168
Citation Formats
Materials Data on Co2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738168.
Materials Data on Co2As by Materials Project. United States. doi:https://doi.org/10.17188/1738168
2020.
"Materials Data on Co2As by Materials Project". United States. doi:https://doi.org/10.17188/1738168. https://www.osti.gov/servlets/purl/1738168. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738168,
title = {Materials Data on Co2As by Materials Project},
abstractNote = {Co2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with ten equivalent CoAs4 tetrahedra, corners with six equivalent CoAs5 trigonal bipyramids, edges with two equivalent CoAs4 tetrahedra, and edges with six equivalent CoAs5 trigonal bipyramids. There are two shorter (2.26 Å) and two longer (2.34 Å) Co–As bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded to five As3- atoms to form distorted CoAs5 trigonal bipyramids that share corners with six equivalent CoAs4 tetrahedra, corners with ten equivalent CoAs5 trigonal bipyramids, edges with six equivalent CoAs4 tetrahedra, and edges with six equivalent CoAs5 trigonal bipyramids. There are one shorter (2.41 Å) and four longer (2.54 Å) Co–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.},
doi = {10.17188/1738168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}