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Title: Materials Data on NaAgO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1325137· OSTI ID:1325137

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1325137
Report Number(s):
mp-1008866
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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