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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca2SnHg by Materials Project

Ca2HgSn 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 Sn atoms. All Ca–Hg bond lengths are 3.33 Å. All Ca–Sn bond lengths are 3.33 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnHg by Materials Project

CaHgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Hg and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.73 Å) Ca–Hg bond lengths. There are three shorter (3.28 Å) and three longer (3.62 Å) Ca–Sn bond lengths. Hg is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Sn atoms. There are three shorter (2.94 Å) and one longer (3.13 Å) Hg–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnHg by Materials Project

CaHgSn 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 Sn atoms to form a mixture of edge and face-sharing CaSn6Hg6 cuboctahedra. All Ca–Hg bond lengths are 3.46 Å. All Ca–Sn bond lengths are 3.46 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.84 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnHg by Materials Project

CaHgSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Hg and six equivalent Sn atoms to form a mixture of edge and face-sharing CaSn6Hg6 cuboctahedra. All Ca–Hg bond lengths are 3.45 Å. All Ca–Sn bond lengths are 3.45 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Sn atoms. All Hg–Sn bond lengths are 2.88 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Hg atoms.

36 MATERIALS SCIENCE↗