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DOE OSTI2020

Materials Data on LiSiAu2 by Materials Project

LiAu2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAu2Si ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent Au+1.50+ atoms. Both Li–Au bond lengths are 2.62 Å. Au+1.50+ is bonded in a linear geometry to one Li1+ and one Si4- atom. The Au–Si bond length is 2.32 Å. Si4- is bonded in a linear geometry to two equivalent Au+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2SiAu by Materials Project

Li2AuSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2AuSi ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to one Au2+ and one Si4- atom. The Li–Au bond length is 2.49 Å. The Li–Si bond length is 2.60 Å. Au2+ is bonded in a linear geometry to two equivalent Li1+ atoms. Si4- is bonded in a linear geometry to two equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2SiAu by Materials Project

Li2AuSi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.64 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Au2+ atoms to form distorted corner-sharing LiAu4 tetrahedra. All Li–Au bond lengths are 2.64 Å. Au2+ is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Si4- atoms. All Au–Si bond lengths are 2.64 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Au2+ atoms.

36 MATERIALS SCIENCE↗