Materials Data on CaHgPb by Materials Project
CaHgPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Hg and six equivalent Pb atoms to form a mixture of edge and face-sharing CaHg6Pb6 cuboctahedra. All Ca–Hg bond lengths are 3.52 Å. All Ca–Pb bond lengths are 3.52 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pb atoms. All Hg–Pb bond lengths are 2.97 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms.
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