Materials Data on YbScO2 by Materials Project
YbScO2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with six equivalent ScO6 octahedra, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Yb–O bond lengths are 2.36 Å. Sc2+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent YbO6 pentagonal pyramids, edges with six equivalent ScO6 octahedra, and edges with six equivalent YbO6 pentagonal pyramids. All Sc–O bond lengths are 2.23 Å. O2- is bonded to three equivalent Yb2+ and three equivalent Sc2+ atoms to form a mixture of face, edge, and corner-sharing OYb3Sc3 octahedra. The corner-sharing octahedra tilt angles range from 0–46°.