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Updated: Dec 3, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Hydro-flux synthesis and crystal structure of Tl3IO
Ralf Albrecht1, Heinrich Menning1, Thomas Doert1
1Technische Universität Dresden, Chair of Inorganic Chemistry II, Bergstrasse 66, 01069 Dresden, Germany.
Abstract:
Single-crystals of thallium(I) iodide oxide Tl3IO were obtained as by-product in a hydro-flux synthesis at 473 K for 10 h. A potassium hydroxide hydro-flux with a water-base molar ratio of 1.6 and the starting materials TlNO3, RhI3 and Ba(NO3)2 was used, resulting in a few black needle-shaped crystals. X-ray diffraction on a single-crystal revealed the hexa-gonal space group P63/mmc (No. 194) with lattice parameters a = 7.1512 (3) Å and c = 6.3639 (3) Å. Tl3IO crystallizes as hexa-gonal anti-perovskite (anti-BaNiO3 type) and is thus structurally related to the alkali-metal halide/auride oxides M 3 XO (M = K, Rb, Cs; X = Cl, Br, I, Au). The oxygen atoms center thallium octa-hedra. The [OTl6] octa-hedra share trans faces, forming a linear chain along [001]. Twelve thallium atoms surround each iodine atom in an [ITl12] anti-cubocta-hedron. Thallium and iodine atoms together form a hexa-gonal close-sphere packing, in which every fourth octa-hedral void is occupied by oxygen.
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