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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tl3Ir(NO2)6 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3Ir by Materials Project

IrTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ir–Tl bond lengths are 3.15 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Ir and four equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing TlTl4Ir4 tetrahedra. All Tl–Tl bond lengths are 3.15 Å. In the second Tl site, Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms.

36 MATERIALS SCIENCE↗