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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrInHg2 by Materials Project

SrHg2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent In atoms. All Sr–Hg bond lengths are 3.31 Å. All Sr–In bond lengths are 3.82 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent In atoms. All Hg–In bond lengths are 3.31 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(InHg)2 by Materials Project

Sr(HgIn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Hg atoms. All Sr–Hg bond lengths are 3.57 Å. Hg is bonded in a 9-coordinate geometry to four equivalent Sr, one Hg, and four equivalent In atoms. The Hg–Hg bond length is 2.85 Å. All Hg–In bond lengths are 3.00 Å. In is bonded to four equivalent Hg atoms to form a mixture of distorted edge and corner-sharing InHg4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrIn3Hg by Materials Project

SrHgIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Hg and twelve In atoms. All Sr–Hg bond lengths are 3.69 Å. There are a spread of Sr–In bond distances ranging from 3.69–3.97 Å. Hg is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.77 Å) and four longer (2.97 Å) Hg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Sr, two equivalent Hg, and two equivalent In atoms. Both In–In bond lengths are 2.99 Å. In the second In site, In is bonded in a 1-coordinate geometry to four equivalent Sr, one Hg, and four equivalent In atoms.

36 MATERIALS SCIENCE↗