Materials Data on GdMgTl by Materials Project

Abstract

MgGdTl crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Mg–Tl bond distances ranging from 2.95–3.01 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Mg–Tl bond distances ranging from 2.95–3.00 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Mg–Tl bond distances ranging from 2.95–3.01 Å. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to five Tl atoms. There are a spread of Gd–Tl bond distances ranging from 3.27–3.30 Å. In the second Gd site, Gd is bonded in a 5-coordinate geometry to five Tl atoms. There are one shorter (3.27 Å) and four longer (3.29 Å) Gd–Tl bond lengths. In the third Gd site, Gd is bonded in a 5-coordinate geometry to five Tl atoms. There are one shorter (3.27 Å) and four longer (3.28 Å) Gd–Tl bond lengths. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to three Mg and six Gd atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to three Mg and six Gd atoms. In the third Tl site, Tl is bonded in a 9-coordinate geometry to six Mg and three Gd atoms.