Na₃SbSe₃: Synthesis, Crystal Structure Determination, Raman Spectroscopy, and Ionic Conductivity

Abstract

Abstract Na 3 SbSe 3 was obtained by solid state reaction of anhydrous Na 2 Se, antimony, and selenium in a ratio of 3:2:3. It is air and moisture sensitive and melts at 870 K. Yellow single crystals of Na 3 SbSe 3 were used for single‐crystal X‐ray diffraction. It crystallizes in the cubic space group P 2 1 3 (No. 198) with a = 9.0227(2) Å, V = 734.53(3) Å 3 , and Z = 4. Na 3 SbS 3 is isotypic with Na 3 AsS 3 . Trigonal SbSe 3 pyramids therein act as mono‐, bi‐, and tridentate ligands to sodium. Sodium is located at three different sites, which are all coordinated by six selenium atoms, providing a strongly distorted octahedral environment. NaSe 6 octahedra of identical type share common vertices; in case of different sites also face sharing is observed. Na 3 SbSe 3 shows temperature dependent Na + conductivity above 380 K, which increases to 2.9 × 10 –6 Ω –1 cm –1 at 590 K.