U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3As by Materials Project
Abstract
Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1183193
- 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; Ag-As; Ag3As; crystal structure
- OSTI Identifier:
- 1688084
- DOI:
- https://doi.org/10.17188/1688084
Citation Formats
Materials Data on Ag3As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688084.
Materials Data on Ag3As by Materials Project. United States. doi:https://doi.org/10.17188/1688084
2020.
"Materials Data on Ag3As by Materials Project". United States. doi:https://doi.org/10.17188/1688084. https://www.osti.gov/servlets/purl/1688084. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1688084,
title = {Materials Data on Ag3As by Materials Project},
abstractNote = {Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.},
doi = {10.17188/1688084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}