Materials Data on Gd3Sc2(GaO4)3 by Materials Project

Abstract

Gd3Sc2Ga3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Gd3+ is bonded to four equivalent O2- atoms to form GdO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Gd–O bond lengths are 2.15 Å. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 octahedra that share corners with six equivalent GdO4 tetrahedra. All Sc–O bond lengths are 2.15 Å. Ga3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.15 Å) and four longer (2.61 Å) Ga–O bond lengths. O2- is bonded in a 3-coordinate geometry to one Gd3+, one Sc3+, and two equivalent Ga3+ atoms.