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Title: Materials Data on Ag2TeO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192874· OSTI ID:1192874

Ag2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.97 Å. In the second Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted corner-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.37–2.71 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–3.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Ag1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and two equivalent Te4+ 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:
1192874
Report Number(s):
mp-18068
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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