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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiSiAg2 by Materials Project

LiAg2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Ag+1.50+ atoms. All Li–Ag bond lengths are 2.73 Å. Ag+1.50+ is bonded in a distorted body-centered cubic geometry to four equivalent Li1+ and four equivalent Si4- atoms. All Ag–Si bond lengths are 2.73 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Ag+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSiAg2 by Materials Project

LiAg2Si crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to four equivalent Ag+1.50+ and four equivalent Si4- atoms. All Li–Ag bond lengths are 2.76 Å. All Li–Si bond lengths are 2.76 Å. There are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a body-centered cubic geometry to four equivalent Ag+1.50+ and four equivalent Si4- atoms. All Ag–Ag bond lengths are 2.76 Å. All Ag–Si bond lengths are 2.76 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 4-coordinate geometry to four equivalent Li1+ and four equivalent Ag+1.50+ atoms. Si4- is bonded in a distorted body-centered cubic geometry to four equivalent Li1+ and four equivalent Ag+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSiAg2 by Materials Project

LiAg2Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Ag+1.50+ and four equivalent Si4- atoms. All Li–Ag bond lengths are 2.74 Å. All Li–Si bond lengths are 3.11 Å. Ag+1.50+ is bonded in a distorted body-centered cubic geometry to four equivalent Li1+ and four equivalent Si4- atoms. All Ag–Si bond lengths are 2.74 Å. Si4- is bonded to four equivalent Li1+ and eight equivalent Ag+1.50+ atoms to form a mixture of distorted face and corner-sharing SiLi4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSiAg2 by Materials Project

LiAg2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAg2Si ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent Ag+1.50+ atoms. Both Li–Ag bond lengths are 2.69 Å. Ag+1.50+ is bonded in a linear geometry to one Li1+ and one Si4- atom. The Ag–Si bond length is 2.41 Å. Si4- is bonded in a linear geometry to two equivalent Ag+1.50+ atoms.

36 MATERIALS SCIENCE↗