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Ti insertion in the MTe5 (M = Zr, Hf) structure type: Hf0.78Ti0.22Te5

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Author(s): Jaemin Yu | Hoseop Yun

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 3;
Start page: i19;
Date: 2012;
Original page

ABSTRACT
The group 5 mixed-metal telluride, Hf0.78Ti0.22Te5 (hafnium titanium pentatelluride), is isostructural with the binary phases HfTe5 and ZrTe5 and forms a layered structure extending parallel to (010). The layers are made up from chains of bicapped metal-centered trigonal prisms and zigzag Te chains. The metal site (site symmetry m2m) is occupied by statistically disordered Hf [78.1 (5)%] and Ti [21.9 (5)%]. In addition to the regular Te—Te pair [2.7448 (13) Å] forming the short base of the equilateral triangle of the trigonal prism, an intermediate Te...Te separation [2.9129 (9) Å] is also found. The classical charge balance of the compound can be described as [M4+][Te2−][Te22−][Te20] (M = Hf, Ti). The individual metal content can vary in different crystals, apparently forming a random substitutional solid solution (Hf1-xTix)Te5, with 0.15 ≤ x ≤ 0.22.
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