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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg4SiSn by Materials Project

Mg4SnSi crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four silicon molecules and one Mg4Sn framework. In the Mg4Sn framework, Mg is bonded in a distorted q6 geometry to six equivalent Mg and three equivalent Sn atoms. There are three shorter (2.86 Å) and three longer (2.88 Å) Mg–Mg bond lengths. All Mg–Sn bond lengths are 3.37 Å. Sn is bonded in a 12-coordinate geometry to twelve equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg4SiSn by Materials Project

Mg4SnSi is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Sn and one Si atom to form a mixture of edge and corner-sharing MgSiSn3 tetrahedra. All Mg–Sn bond lengths are 2.88 Å. The Mg–Si bond length is 2.77 Å. In the second Mg site, Mg is bonded to one Sn and three equivalent Si atoms to form a mixture of edge and corner-sharing MgSi3Sn tetrahedra. The Mg–Sn bond length is 2.91 Å. All Mg–Si bond lengths are 2.83 Å. Sn is bonded in a body-centered cubic geometry to eight Mg atoms. Si is bonded in a body-centered cubic geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg6SiSn2 by Materials Project

Mg6Sn2Si crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Sn and two equivalent Si atoms to form a mixture of edge and corner-sharing MgSi2Sn2 tetrahedra. Both Mg–Sn bond lengths are 2.93 Å. Both Mg–Si bond lengths are 2.84 Å. In the second Mg site, Mg is bonded to three equivalent Sn and one Si atom to form a mixture of edge and corner-sharing MgSiSn3 tetrahedra. There are two shorter (2.92 Å) and one longer (2.93 Å) Mg–Sn bond lengths. The Mg–Si bond length is 2.78 Å. Sn is bonded in a body-centered cubic geometry to eight Mg atoms. Si is bonded in a body-centered cubic geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗