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DOE OSTI · 1267496

Materials Data on Tl2O by Materials Project

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Abstract

Tl2O is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Tl2O sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are one shorter (2.57 Å) and two longer (2.59 Å) Tl–O bond lengths. O2- is bonded to six Tl1+ atoms to form edge-sharing OTl6 octahedra.

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36 MATERIALS SCIENCEcrystal structureO-TlTl2O

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2020-05-02. Materials Data on Tl2O by Materials Project. https://doi.org/10.17188/1267496

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