Materials Data on Dy2CuAg3 by Materials Project

Abstract

Dy2Ag3Cu is Titanium Disilicide-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted q6 geometry to six Ag and four equivalent Cu atoms. There are a spread of Dy–Ag bond distances ranging from 2.86–3.07 Å. All Dy–Cu bond lengths are 2.98 Å. In the second Dy site, Dy is bonded in a distorted q6 geometry to nine Ag and one Cu atom. There are four shorter (3.03 Å) and five longer (3.08 Å) Dy–Ag bond lengths. The Dy–Cu bond length is 2.97 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to five Dy and four equivalent Ag atoms. All Ag–Ag bond lengths are 3.01 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to five Dy and four equivalent Cu atoms. All Ag–Cu bond lengths are 3.00 Å. In the third Ag site, Ag is bonded in a 10-coordinate geometry to five Dy, four equivalent Ag, and one Cu atom. The Ag–Cu bond length is 3.00 Å. Cu is bonded in a 10-coordinate geometry to five Dy and five Ag atoms.