U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaAgO by Materials Project
Abstract
NaAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted NaAg6O4 tetrahedra that share corners with four equivalent AgNa6O4 tetrahedra, corners with six equivalent NaAg6O4 tetrahedra, edges with six equivalent AgNa6O4 tetrahedra, and faces with twelve equivalent NaAg6O4 tetrahedra. All Na–Ag bond lengths are 2.86 Å. All Na–O bond lengths are 2.47 Å. Ag1+ is bonded to six equivalent Na1+ and four equivalent O2- atoms to form distorted AgNa6O4 tetrahedra that share corners with four equivalent NaAg6O4 tetrahedra, corners with six equivalent AgNa6O4 tetrahedra, edges with six equivalent NaAg6O4 tetrahedra, and faces with twelve equivalent AgNa6O4 tetrahedra. All Ag–O bond lengths are 2.47 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Ag1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1008866
- 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-Na-O; NaAgO; crystal structure
- OSTI Identifier:
- 1325137
- DOI:
- https://doi.org/10.17188/1325137
Citation Formats
Materials Data on NaAgO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1325137.
Materials Data on NaAgO by Materials Project. United States. doi:https://doi.org/10.17188/1325137
2020.
"Materials Data on NaAgO by Materials Project". United States. doi:https://doi.org/10.17188/1325137. https://www.osti.gov/servlets/purl/1325137. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1325137,
title = {Materials Data on NaAgO by Materials Project},
abstractNote = {NaAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted NaAg6O4 tetrahedra that share corners with four equivalent AgNa6O4 tetrahedra, corners with six equivalent NaAg6O4 tetrahedra, edges with six equivalent AgNa6O4 tetrahedra, and faces with twelve equivalent NaAg6O4 tetrahedra. All Na–Ag bond lengths are 2.86 Å. All Na–O bond lengths are 2.47 Å. Ag1+ is bonded to six equivalent Na1+ and four equivalent O2- atoms to form distorted AgNa6O4 tetrahedra that share corners with four equivalent NaAg6O4 tetrahedra, corners with six equivalent AgNa6O4 tetrahedra, edges with six equivalent NaAg6O4 tetrahedra, and faces with twelve equivalent AgNa6O4 tetrahedra. All Ag–O bond lengths are 2.47 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1325137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}