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DOE OSTI · 1718612

Materials Data on NbTlO14 by Materials Project

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Abstract

NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight NbO12 clusters and one TlO2 framework. In each NbO12 cluster, Nb is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Nb–O bond lengths are 2.21 Å. O is bonded in a 1-coordinate geometry to one Nb and two equivalent O atoms. Both O–O bond lengths are 1.82 Å. In the TlO2 framework, Tl is bonded to four equivalent O atoms to form corner-sharing TlO4 tetrahedra. All Tl–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Tl atoms.

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36 MATERIALS SCIENCEcrystal structureNb-O-TlNbTlO14

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2020-04-29. Materials Data on NbTlO14 by Materials Project. https://doi.org/10.17188/1718612

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