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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdHg3 by Materials Project

Hg3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Hg and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing HgCd4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.35 Å. All Hg–Cd bond lengths are 3.35 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdHg3 by Materials Project

Hg3Cd crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a distorted see-saw-like geometry to four equivalent Cd atoms. There are two shorter (3.33 Å) and two longer (3.37 Å) Hg–Cd bond lengths. Cd is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing CdHg12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdHg3 by Materials Project

Hg3Cd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Hg and four equivalent Cd atoms. All Hg–Hg bond lengths are 3.29 Å. All Hg–Cd bond lengths are 3.47 Å. In the second Hg site, Hg is bonded in a square co-planar geometry to four equivalent Cd atoms. All Hg–Cd bond lengths are 3.29 Å. Cd is bonded to twelve Hg atoms to form a mixture of distorted face, edge, and corner-sharing CdHg12 cuboctahedra.

36 MATERIALS SCIENCE↗