Materials Data on YbGa2Ag by Materials Project

Abstract

YbAgGa2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to five equivalent Ag and nine Ga atoms. There are a spread of Yb–Ag bond distances ranging from 3.20–3.48 Å. There are a spread of Yb–Ga bond distances ranging from 3.02–3.52 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Yb, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.06 Å. There are a spread of Ag–Ga bond distances ranging from 2.74–2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Yb, two equivalent Ag, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Yb, three equivalent Ag, and three equivalent Ga atoms.