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Licensed Unlicensed Requires Authentication Published by De Gruyter December 9, 2019

New cation-disordered quaternary selenides Tl2Ga2TtSe6 (Tt=Ge, Sn)

Volodymyr Babizhetskyy EMAIL logo , Volodymyr Levytskyy , Volodymyr Smetana , Magdalena Wilk-Kozubek , Oksana Tsisar , Lyudmyla Piskach , Oleg Parasyuk and Anja-Verena Mudring


Two new quaternary selenides of the α-TlSe structure type have been synthesized and characterized. Single crystal X-ray diffraction analysis has revealed that Tl2Ga2SnSe6 crystallizes with space group I4/mmc, a = 8.095(1), c = 6.402(1) Å, with a refined composition of Tl1−xGa1−ySnySe2 (x = y = 0.345(5)), Z = 4, R1 = 0.028; wR2 = 0.066. The crystal structure of the isostructural compound Tl2Ga2GeSe6 has been determined by means of powder X-ray diffraction: space group I4/mmc, Z = 4, a = 8.0770(4), c = 6.2572(5) Å, refined composition Tl1−xGa1−yGeySe2, x = 0.343(5), y = 0.35(2), (RB(I) = 0.084; RP = 0.041; RPw = 0.058). According to their optical absorption spectra all compounds are semiconductors with relatively narrow direct band gaps of 2.15(3) and 2.05(5) eV for the Ge and Sn phase, respectively.

Dedicated to: Professor Arndt Simon on the occasion of his 80th birthday.


The authors thank W. Hölle (MPI FKF, Stuttgart) for X-ray intensity data collection. AVM and VS would like to thank Energimydigheten, the Swedish Energy Agency for support.


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Received: 2019-10-24
Accepted: 2019-11-17
Published Online: 2019-12-09
Published in Print: 2020-02-25

©2020 Walter de Gruyter GmbH, Berlin/Boston

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