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Materials Data on Yb(SiAg)2 by Materials Project

YbAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded to eight equivalent Si4- atoms to form YbSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent YbSi8 hexagonal bipyramids. All Yb–Si bond lengths are 3.23 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent YbSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.28 Å.

36 MATERIALS SCIENCE↗

Materials Data on YbSiAg by Materials Project

YbAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb3+ is bonded to five Si4- atoms to form a mixture of edge and corner-sharing YbSi5 square pyramids. There are one shorter (2.99 Å) and four longer (3.02 Å) Yb–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Si4- atoms. Both Ag–Ag bond lengths are 2.96 Å. There are two shorter (2.69 Å) and two longer (2.78 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Yb3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Yb3+ and six equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗