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DOE OSTI2020

Materials Data on BaSnHg by Materials Project

BaHgSn 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 Hg and six equivalent Sn atoms to form a mixture of edge and face-sharing BaSn6Hg6 cuboctahedra. All Ba–Hg bond lengths are 3.78 Å. All Ba–Sn bond lengths are 3.78 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.89 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Hg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BaSnHg2 by Materials Project

BaHg2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaHg2Sn ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to two equivalent Hg atoms. Both Ba–Hg bond lengths are 3.43 Å. Hg is bonded in a linear geometry to one Ba and one Sn atom. The Hg–Sn bond length is 2.89 Å. Sn is bonded in a linear geometry to two equivalent Hg atoms.

36 MATERIALS SCIENCE↗