U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAgO by Materials Project
Abstract
KAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted KAg6O4 tetrahedra that share corners with four equivalent AgK6O4 tetrahedra, corners with six equivalent KAg6O4 tetrahedra, edges with six equivalent AgK6O4 tetrahedra, and faces with twelve equivalent KAg6O4 tetrahedra. All K–Ag bond lengths are 3.07 Å. All K–O bond lengths are 2.66 Å. Ag1+ is bonded to six equivalent K1+ and four equivalent O2- atoms to form distorted AgK6O4 tetrahedra that share corners with four equivalent KAg6O4 tetrahedra, corners with six equivalent AgK6O4 tetrahedra, edges with six equivalent KAg6O4 tetrahedra, and faces with twelve equivalent AgK6O4 tetrahedra. All Ag–O bond lengths are 2.66 Å. O2- is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Ag1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1009048
- 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-K-O; KAgO; crystal structure
- OSTI Identifier:
- 1325190
- DOI:
- https://doi.org/10.17188/1325190
Citation Formats
Materials Data on KAgO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1325190.
Materials Data on KAgO by Materials Project. United States. doi:https://doi.org/10.17188/1325190
2020.
"Materials Data on KAgO by Materials Project". United States. doi:https://doi.org/10.17188/1325190. https://www.osti.gov/servlets/purl/1325190. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1325190,
title = {Materials Data on KAgO by Materials Project},
abstractNote = {KAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted KAg6O4 tetrahedra that share corners with four equivalent AgK6O4 tetrahedra, corners with six equivalent KAg6O4 tetrahedra, edges with six equivalent AgK6O4 tetrahedra, and faces with twelve equivalent KAg6O4 tetrahedra. All K–Ag bond lengths are 3.07 Å. All K–O bond lengths are 2.66 Å. Ag1+ is bonded to six equivalent K1+ and four equivalent O2- atoms to form distorted AgK6O4 tetrahedra that share corners with four equivalent KAg6O4 tetrahedra, corners with six equivalent AgK6O4 tetrahedra, edges with six equivalent KAg6O4 tetrahedra, and faces with twelve equivalent AgK6O4 tetrahedra. All Ag–O bond lengths are 2.66 Å. O2- is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1325190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}