Materials Data on ScUS3 by Materials Project
UScS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–3.15 Å. Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.51 Å) and four longer (2.60 Å) Sc–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Sc3+ atoms. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Sc3+ atoms to form distorted corner-sharing SSc2U2 tetrahedra.
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