Materials Data on CaLa2FeO6 by Materials Project
CaLa2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Ca–O bond lengths are 2.27 Å. La is bonded in a 3-coordinate geometry to nine equivalent O atoms. There are a spread of La–O bond distances ranging from 2.40–3.07 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Fe–O bond lengths are 1.93 Å. O is bonded in a 4-coordinate geometry to one Ca, three equivalent La, and one Fe atom.