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DOE OSTI · 1710672

Materials Data on Nb2Al3Ir by Materials Project

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Abstract

Nb2IrAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to four equivalent Nb, three equivalent Ir, and nine equivalent Al atoms. There are one shorter (2.83 Å) and three longer (3.24 Å) Nb–Nb bond lengths. All Nb–Ir bond lengths are 3.07 Å. There are six shorter (2.97 Å) and three longer (2.98 Å) Nb–Al bond lengths. Ir is bonded to six equivalent Nb and six equivalent Al atoms to form a mixture of distorted edge and face-sharing IrNb6Al6 cuboctahedra. All Ir–Al bond lengths are 2.52 Å. Al is bonded in a distorted water-like geometry to six equivalent Nb and two equivalent Ir atoms.

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36 MATERIALS SCIENCEAl-Ir-Nbcrystal structureNb2Al3Ir

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2020-05-03. Materials Data on Nb2Al3Ir by Materials Project. https://doi.org/10.17188/1710672

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