Materials Data on Cr2SeS by Materials Project
Cr2SeS is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of face, edge, and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. All Cr–Se bond lengths are 2.63 Å. All Cr–S bond lengths are 2.57 Å. Se2- is bonded to six equivalent Cr2+ atoms to form distorted edge-sharing SeCr6 pentagonal pyramids. S2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.
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