Materials Data on BaZnSn by Materials Project
BaZnSn 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 Zn and six equivalent Sn atoms to form a mixture of edge and face-sharing BaZn6Sn6 cuboctahedra. All Ba–Zn bond lengths are 3.71 Å. All Ba–Sn bond lengths are 3.71 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Zn atoms.
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