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Materials Data on TlGaO2 by Materials Project

TlGaO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Tl–O bond distances ranging from 3.47–3.51 Å. Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. All Ga–O bond lengths are 1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to six equivalent Tl1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to six equivalent Tl1+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗