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DOE OSTI · 1272085

Materials Data on TlSbO3 by Materials Project

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Abstract

TlSbO3 crystallizes in the hexagonal P6_322 space group. The structure is two-dimensional and consists of two TlSbO3 sheets oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.59 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. All Sb–O bond lengths are 2.02 Å. In the second Sb5+ site, Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. All Sb–O bond lengths are 2.04 Å. O2- is bonded in a distorted T-shaped geometry to one Tl1+ and two Sb5+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Sb-TlTlSbO3

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2020-07-17. Materials Data on TlSbO3 by Materials Project. https://doi.org/10.17188/1272085

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