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DOE OSTI2020

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ca2HgPb by Materials Project

Ca2HgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Pb atoms. All Ca–Hg bond lengths are 3.35 Å. All Ca–Pb bond lengths are 3.35 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗