Materials Data on Zn3Hg by Materials Project
HgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Zn atoms to form a mixture of corner and face-sharing HgZn12 cuboctahedra. There are six shorter (2.91 Å) and six longer (2.94 Å) Hg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Hg and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.09 Å.
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