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DOE OSTI2020

Materials Data on Tl3H by Materials Project

(Tl)6H2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two hydrogen molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 8-coordinate geometry to eight Tl atoms. There are four shorter (3.29 Å) and four longer (3.41 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 8-coordinate geometry to eight equivalent Tl atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Materials Data on Tl3H by Materials Project

(Tl)6H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two hydrogen molecules and six thallium molecules.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TlH by Materials Project

HTl is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tl1+ is bonded to four equivalent H1- atoms to form corner-sharing TlH4 tetrahedra. There are one shorter (2.38 Å) and three longer (2.42 Å) Tl–H bond lengths. H1- is bonded to four equivalent Tl1+ atoms to form corner-sharing HTl4 tetrahedra.

36 MATERIALS SCIENCE↗