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Abstract
A new quaternary phase compound, Ru4Sn20In2O21, was synthesized using a reactive tin-flux method. Single-crystal X-ray diffraction analysis reveals that this compound crystallizes in a monoclinic structure with the noncentrosymmetric space group Cm. The structure consists of Ru-centered (Sn/In)6 octahedra, featuring both condensed and isolated layers, which are surrounded by tetrahedrally disordered and ordered SnO3 units. Oxidation state analysis, supported by both experimental data and theoretical calculations, indicates a rare mixed valence of Ru atoms Ru0, Ru+, and Ru2+. Tin atoms in corner-sharing sites primarily exhibit Sn+, while the remaining tin and indium atoms are present as Sn2+ and In+, respectively. Electronic band structure calculations suggest the presences of a direct band gap, consistent with the observed photophysical properties. Photoluminescence measurements show a peak at 620 nm, corresponding to red emission. Given its direct band gap and red emission, Ru4Sn20In2O21 exhibits significant potential for optoelectronic applications, such as light-emitting diodes (LEDs) and photovoltaic devices.
Supplementary materials
Title
Supplementary Material
Description
The crystal structure details and comparisons, SEM-EDX analysis, LA-ICP-MS data, XAS spectra, XPS survey spectra, UV-vis spectra, powder synchrotron diffraction, crystallographic information tables and heat capacity (PDF) Crystallographic data of Ru4Sn20In2O21 (CIF)
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