Materials Data on CaLa2SbO6 by Materials Project

Abstract

CaLa2SbO6 is Ilmenite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Ca–O bond lengths are 2.35 Å. La+2.50+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.71 Å) La–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Sb–O bond lengths are 2.16 Å. O2- is bonded to one Ca2+, two equivalent La+2.50+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCaLa2Sb trigonal pyramids.