Materials Data on Sr(TlHg)2 by Materials Project

Abstract

Sr(HgTl)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Hg and four equivalent Tl atoms. There are a spread of Sr–Hg bond distances ranging from 3.58–3.70 Å. All Sr–Tl bond lengths are 3.65 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to four equivalent Sr, three Hg, and two equivalent Tl atoms. There are two shorter (2.91 Å) and one longer (2.92 Å) Hg–Hg bond lengths. Both Hg–Tl bond lengths are 3.17 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Sr, two equivalent Hg, and two equivalent Tl atoms. Both Hg–Tl bond lengths are 3.14 Å. Tl is bonded in a 2-coordinate geometry to two equivalent Sr, two Hg, and five equivalent Tl atoms. There are one shorter (3.20 Å) and four longer (3.38 Å) Tl–Tl bond lengths.