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Title: Materials Data on TaAgO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316777· OSTI ID:1316777

AgTaO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Ta–O bond lengths are 2.01 Å. Ag1+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–3.10 Å. O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ 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:
1316777
Report Number(s):
mp-9890
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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