Materials Data on BaCuBi by Materials Project
BaCuBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cu and six equivalent Bi atoms to form a mixture of face and edge-sharing BaCu6Bi6 cuboctahedra. All Ba–Cu bond lengths are 3.66 Å. All Ba–Bi bond lengths are 3.66 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Cu–Bi bond lengths are 2.75 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cu atoms.
36 MATERIALS SCIENCE↗