Materials Data on Tl2O by Materials Project
Tl2O is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six 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. All Tl–O bond lengths are 2.58 Å. In the second Tl1+ site, Tl1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.58 Å. O2- is bonded to six Tl1+ atoms to form edge-sharing OTl6 octahedra.
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