Materials Data on YMgTl by Materials Project

Abstract

MgYTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are two shorter (2.93 Å) and two longer (2.98 Å) Mg–Tl bond lengths. Y is bonded in a 5-coordinate geometry to five Tl atoms. There are four shorter (3.25 Å) and one longer (3.26 Å) Y–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms.