Materials Data on Yb20(CdAu3)3 by Materials Project

Abstract

Yb20(Au3Cd)3 crystallizes in the tetragonal P422 space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Au and two Cd atoms. All Yb–Au bond lengths are 3.11 Å. There are one shorter (3.49 Å) and one longer (3.58 Å) Yb–Cd bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to five Au and one Cd atom. There are four shorter (3.12 Å) and one longer (3.51 Å) Yb–Au bond lengths. The Yb–Cd bond length is 3.56 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to four Au and one Cd atom. There are a spread of Yb–Au bond distances ranging from 3.01–3.29 Å. The Yb–Cd bond length is 3.42 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to three equivalent Au and two Cd atoms. There are a spread of Yb–Au bond distances ranging from 3.01–3.10 Å. There are one shorter (3.38 Å) and one longer (3.39 Å) Yb–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Yb atoms. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Yb atoms. In the second Cd site, Cd is bonded in a distorted q6 geometry to ten Yb atoms. In the third Cd site, Cd is bonded in a 10-coordinate geometry to ten Yb atoms.