Materials Data on BaGaGe by Materials Project
Ba(GaGe) crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.75 Å. All Ba–Ge bond lengths are 3.48 Å. In the second Ba site, Ba is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing BaGa6Ge6 cuboctahedra. All Ba–Ga bond lengths are 3.46 Å. All Ba–Ge bond lengths are 3.74 Å. Ga is bonded in a 3-coordinate geometry to six Ba and three equivalent Ge atoms. All Ga–Ge bond lengths are 2.57 Å. Ge is bonded in a 3-coordinate geometry to six Ba and three equivalent Ga atoms.