Materials Data on ScAgS2 by Materials Project
ScAgS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sc3+ is bonded to six S2- atoms to form edge-sharing ScS6 octahedra. There are three shorter (2.56 Å) and three longer (2.65 Å) Sc–S bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.44 Å) and three longer (2.70 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Sc3+ and one Ag1+ atom to form distorted corner-sharing SSc3Ag trigonal pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Ag1+ atoms.
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