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Materials Data on Sm(SiAg)2 by Materials Project

Sm(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to eight equivalent Si4- atoms to form SmSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent SmSi8 hexagonal bipyramids. All Sm–Si bond lengths are 3.20 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent SmSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent SmSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.61 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.31 Å.

36 MATERIALS SCIENCE↗

Materials Data on SmSiAg by Materials Project

SmAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing SmSi5 square pyramids. There are one shorter (2.99 Å) and four longer (3.04 Å) Sm–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.75 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 Sm3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗