Materials Data on CaLa2SnO6 by Materials Project
CaLa2SnO6 is pyrite-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 SnO6 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 (2.75 Å) La–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sn–O bond lengths are 2.10 Å. O2- is bonded to one Ca2+, two equivalent La3+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCaLa2Sn trigonal pyramids.