Materials Data on BaCuGe by Materials Project
BaCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing BaCu6Ge6 cuboctahedra. All Ba–Cu bond lengths are 3.52 Å. All Ba–Ge bond lengths are 3.52 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cu atoms.
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