Semiconductor Physics, Quantum Electronics & Optoelectronics, 20 (3), P. 369-374 (2017).

Structure and Raman spectra of (Cu6PS5I)1–x(Cu7PS6)x mixed crystals
I.P. Studenyak1, M.M. Luchynets1, V.Yu. Izai1, A.I. Pogodin1, O.P. Kokhan1, Yu.M. Azhniuk1,2, D.R.T. Zahn3

1Uzhhorod National University, Faculty of Physics, 3, Narodna Sq., 88000 Uzhhorod, Ukraine
2Institute of Electron Physics, NAS of Ukraine, 88000 Uzhhorod, Ukraine
3Semiconductor Physics, Chemnitz University of Technology, D-09107 Chemnitz, Germany E-mail:

Abstract. Mixed (Cu6PS5I)1–x(Cu7PS6)x crystals were grown using a direct crystallization technique. Being based on the X-ray diffraction data, their crystal structure was studied, showing face-centred cubic lattice for Cu6PS5I-rich solid solutions (х < 0.12) and primitive cubic lattice for Cu7PS6-rich (0.84 < x < 1) solid solutions. These structural data correlate with the Raman spectra where, besides the common features typical for the argyrodite-type Cu6PS5I and Cu7PS6 crystals, weaker bands characteristic only for the end-point compounds are revealed in the corresponding compositional intervals.

Keywords: solid electrolytes, mixed crystals, crystal structure, Raman scattering.

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