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Title: Materials Data on TlAg3Te2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1312833· OSTI ID:1312833

Ag3TlTe2 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to six equivalent Te2- atoms. There are four shorter (3.05 Å) and two longer (3.52 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to four equivalent Tl1+ and four equivalent Te2- atoms. All Ag–Tl bond lengths are 3.00 Å. All Ag–Te bond lengths are 3.25 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent Ag1+ and four equivalent Te2- atoms. All Tl–Te bond lengths are 3.33 Å. Te2- is bonded in a 10-coordinate geometry to eight Ag1+ and two equivalent Tl1+ 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:
1312833
Report Number(s):
mp-8925
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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