skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TlAgCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317388· OSTI ID:1317388

AgTlCl3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag2+ is bonded to six equivalent Cl1- atoms to form corner-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three shorter (2.58 Å) and three longer (2.59 Å) Ag–Cl bond lengths. Tl1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.33–3.97 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Ag2+ and four 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:
1317388
Report Number(s):
mp-998748
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on KAgCl3 by Materials Project
Dataset · Tue May 09 00:00:00 EDT 2017 · OSTI ID:1317388

Materials Data on TlAgCl3 by Materials Project
Dataset · Thu Jul 23 00:00:00 EDT 2020 · OSTI ID:1317388

Materials Data on Tl14Cu8(SbSe3)9 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1317388