Materials Data on YbSiAg by Materials Project

Abstract

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.