Materials Data on Y3Al3NiGe2 by Materials Project

Abstract

Y3NiAl3Ge2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to one Ni, six equivalent Al, and four equivalent Ge atoms. The Y–Ni bond length is 2.81 Å. There are four shorter (3.22 Å) and two longer (3.31 Å) Y–Al bond lengths. All Y–Ge bond lengths are 2.98 Å. Ni is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Ni–Al bond lengths are 2.62 Å. Al is bonded to six equivalent Y, two equivalent Ni, two equivalent Al, and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing AlY6Al2Ni2Ge2 tetrahedra. Both Al–Al bond lengths are 2.74 Å. Both Al–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms.