Materials Data on CaLa2MoO6 by Materials Project
CaLa2MoO6 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 MoO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–O bond lengths are 2.31 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.70 Å) La–O bond lengths. Mo4+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Mo–O bond lengths are 2.08 Å. O2- is bonded to one Ca2+, two equivalent La3+, and one Mo4+ atom to form a mixture of distorted corner and edge-sharing OCaLa2Mo trigonal pyramids.