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Title: Materials Data on Tl3Ir(NO2)6 by Materials Project

Abstract

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.

Authors:
Publication Date:
Other Number(s):
mp-20116
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl3Ir(NO2)6; Ir-N-O-Tl
OSTI Identifier:
1195262
DOI:
https://doi.org/10.17188/1195262

Citation Formats

The Materials Project. Materials Data on Tl3Ir(NO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195262.
The Materials Project. Materials Data on Tl3Ir(NO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1195262
The Materials Project. 2020. "Materials Data on Tl3Ir(NO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1195262. https://www.osti.gov/servlets/purl/1195262. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195262,
title = {Materials Data on Tl3Ir(NO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.},
doi = {10.17188/1195262},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}