Materials Data on TiCdO3 by Materials Project

Abstract

CdTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent CdO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and a faceface with one CdO6 pentagonal pyramid. There are three shorter (1.90 Å) and three longer (2.11 Å) Ti–O bond lengths. Cd2+ is bonded to six equivalent O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with nine equivalent TiO6 octahedra, edges with three equivalent CdO6 pentagonal pyramids, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are three shorter (2.25 Å) and three longer (2.45 Å) Cd–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Cd2+ atoms.