Cu2ZnSbS4: A Thioantimonate(V) with Remarkably Strong Covalent Sb–S Bonding

A new member to the A2 IBIICIVX4 compound family, Cu2ZnSbS4, was synthesized successfully using ball milling and postannealing in H2S-atmosphere. For comparative purposes, Cu3SbS4 was additionally prepared using the same synthetic approach. As is common for A2 IBIICIVX4 compounds, Cu2ZnSbS4 crystall...

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Published inInorganic chemistry Vol. 60; no. 4; pp. 2730 - 2739
Main Authors Heppke, Eva M, Klenner, Steffen, Janka, Oliver, Pöttgen, Rainer, Bredow, Thomas, Lerch, Martin
Format Journal Article
LanguageEnglish
Published American Chemical Society 15.02.2021
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Summary:A new member to the A2 IBIICIVX4 compound family, Cu2ZnSbS4, was synthesized successfully using ball milling and postannealing in H2S-atmosphere. For comparative purposes, Cu3SbS4 was additionally prepared using the same synthetic approach. As is common for A2 IBIICIVX4 compounds, Cu2ZnSbS4 crystallizes isostructural to Cu3SbS4 in the stannite-type structure in space group I 42m. Both antimony sulfides contain monovalent diamagnetic copper and are characterized by substantial covalent bonding. This is consistent with the 121Sb isomer shifts occurring for the Mössbauer spectra of Cu2ZnSbS4 (−7.71 mm s–1) and Cu3SbS4 (−7.68 mm s–1) which fall in the region of covalently bonded Sb­(V) compounds. These spectroscopic results are supported by electronic structure calculations.
ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.0c03601