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BaLiTe2O5X (X = Cl, Br): mixed alkali/alkaline-earth metal tellurite halides with [Te2O5] chains

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Abstract

Isostructural mixed alkali/alkaline-earth metal tellurite halides BaLiTe2O5X (X = Cl, Br) have been successfully synthesized by a mild hydrothermal method, which possess the [Te2O5] chains formed by the corner-sharing connections of the TeO3 and TeO4 polyhedra. The [Te2O5] chains are bridged via the LiO3 polyhedra to form the [LiTe2O5] layers with 4- and 6-membered rings. The adjacent [LiTe2O5] layers are linked via the BaO9 polyhedra to form the [BaLiTe2O5] double layers, which are further connected via weak Ba–X–Li interactions to generate a 3D framework. Analysis of different lithium tellurites shows that the different arrangements of the Te–O and Li–O units in the lithium tellurites can be attributed to the cation–cation repulsion and lone-pair effect. Both compounds display good thermal stability, wide optical bandgaps (4.25 and 4.13 eV), and large birefringence. First-principles calculations indicate that the TeOn groups and X determine the optical properties of BaLiTe2O5X (X = Cl, Br).

Graphical abstract: BaLiTe2O5X (X = Cl, Br): mixed alkali/alkaline-earth metal tellurite halides with [Te2O5]∞ chains

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Supplementary files

Article information


Submitted
14 Jan 2020
Accepted
18 Mar 2020
First published
19 Mar 2020

Dalton Trans., 2020, Advance Article
Article type
Paper

BaLiTe2O5X (X = Cl, Br): mixed alkali/alkaline-earth metal tellurite halides with [Te2O5] chains

T. Wang, Y. Chen, Y. Guo, F. Wang, Q. Song, Y. Jia and X. Zhang, Dalton Trans., 2020, Advance Article , DOI: 10.1039/D0DT00141D

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