Materials Data on Yb3Al3Cr2O12 by Materials Project

Abstract

Yb3Cr2Al3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.35 Å) and four longer (2.49 Å) Yb–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent AlO4 tetrahedra. All Cr–O bond lengths are 1.93 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+, one Cr3+, and one Al3+ atom.