NaY3S3[SiS4]: a sodium-containing YTTRIUM SULFIDE (cas 12039-19-9) thiosilicate with channel structure

Add time:07/30/2019    Source:sciencedirect.com

The reaction of sodium bromide (NaBr), yttrium (Y), sulfur (S) and silicon disulfide (SiS2) in the molar ratio 1:4:6:2 with an excess of NaBr as flux in evacuated silica ampoules at 850°C for 7 days leads to the formation of deep red, hexagonal pillar-shaped single crystals of the title compound. NaY3S3[SiS4] crystallizes hexagonally in the space group P63 (a=976.57(7), c=570.61(5) pm; Z=2). The sodium cations are situated in the trigonal antiprismatic holes (CN=6) of a channel along [001] that is built by non-silicon bonded sulfide anions, which on their part are surrounded by four Y3+ and two Na+ cations. The yttrium cations are surrounded by eight sulfur atoms in the shape of a square antiprism divided into four silicon- and four non-silicon-bonded sulfide anions. Finally, all discrete [SiS4]4− tetrahedra point in the same direction along the polar c-axis. Therefore, the whole structure of NaY3S3[SiS4] remains non-centrosymmetric.

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