Materials Data on Sc2CO by Materials Project

Abstract

Sc2CO is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sc3+ is bonded to three equivalent C4- and three equivalent O2- atoms to form a mixture of corner and edge-sharing ScC3O3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–C bond lengths are 2.27 Å. All Sc–O bond lengths are 2.33 Å. C4- is bonded to six equivalent Sc3+ atoms to form CSc6 octahedra that share corners with six equivalent OSc6 octahedra, edges with six equivalent CSc6 octahedra, and edges with six equivalent OSc6 octahedra. The corner-sharing octahedral tilt angles are 2°. O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with six equivalent CSc6 octahedra, edges with six equivalent CSc6 octahedra, and edges with six equivalent OSc6 octahedra. The corner-sharing octahedral tilt angles are 2°.