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Pararealgar, a polymorph of realgar (α-As 4 S 4 ), crystallizes in the monoclinic space group P2 1 /c, with a = 9.909(2), b = 9.655(1), c = 8.502(1) Å, β = 97.29(1)°, V = 806.8(2) A 3 . A single crystal of pararealgar was obtained by light exposure of realgar. The structure was determined by direct methods and refined by least-squares technique to a final R index of 3.39%. The structure consists of discrete covalently bonded As.S. molecules, which are held together by van der Waals forces. In each molecule, one As atom links 2As + IS, another links 3S, and the other two link 1As + 2S. Therefore this molecule differs from that of α-As 4 S 4  but is the same as that found in As 4 S 4 (II). The difference between the structure of pararealgar and As 4 S 4 (II) is due to different molecular packing.

The crystal structure of pararealgar, AS 4 S 4