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DOE OSTI · 1731294

Materials Data on TlIn3 by Materials Project

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Abstract

Tl(In)3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one In sheet oriented in the (0, 0, 1) direction and one Tl sheet oriented in the (0, 0, 1) direction. In the In sheet, there are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight In atoms. There are four shorter (3.29 Å) and four longer (3.37 Å) In–In bond lengths. In the second In site, In is bonded to twelve In atoms to form a mixture of corner and face-sharing InIn12 cuboctahedra. All In–In bond lengths are 3.29 Å. In the Tl sheet, Tl is bonded in a square co-planar geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.29 Å.

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36 MATERIALS SCIENCEcrystal structureIn-TlTlIn3

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2020-05-03. Materials Data on TlIn3 by Materials Project. https://doi.org/10.17188/1731294

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