Materials Data on Y3Mn3Ga2Ge by Materials Project

Abstract

Y3Mn3GeGa2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Ge atoms. There are a spread of Y–Mn bond distances ranging from 3.21–3.31 Å. There are one shorter (2.95 Å) and two longer (2.96 Å) Y–Ga bond lengths. Both Y–Ge bond lengths are 2.95 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Y, two equivalent Mn, three Ga, and one Ge atom. Both Mn–Mn bond lengths are 2.81 Å. There are two shorter (2.63 Å) and one longer (2.79 Å) Mn–Ga bond lengths. The Mn–Ge bond length is 2.76 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Mn atoms. In the second Ga site, Ga is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Mn atoms. Ge is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Mn atoms.