Materials Data on La3Al2Ga3SnO14 by Materials Project

Abstract

La3Ga3Al2SnO14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.96 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.86 Å) and two longer (1.89 Å) Ga–O bond length. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent GaO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.78 Å) Al–O bond length. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Sn–O bond lengths are 2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and one Al3+ atom to form distorted corner-sharing OLa3Al tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+, one Ga3+, and one Al3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ga3+, and one Sn4+ atom.