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DOE OSTI · 1192555

Materials Data on Nb5Pt3O by Materials Project

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Abstract

Nb5Pt3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to five equivalent Pt and two equivalent O atoms. There are a spread of Nb–Pt bond distances ranging from 2.84–2.89 Å. Both Nb–O bond lengths are 2.30 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Nb and six equivalent Pt atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Pt bond lengths are 2.76 Å. Pt is bonded in a 9-coordinate geometry to nine Nb atoms. O is bonded to six equivalent Nb atoms to form face-sharing ONb6 octahedra.

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36 MATERIALS SCIENCEcrystal structureNb-O-PtNb5Pt3O

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2020-07-17. Materials Data on Nb5Pt3O by Materials Project. https://doi.org/10.17188/1192555

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