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DOE OSTI · 1651517

Materials Data on Sr3Nb by Materials Project

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Abstract

Sr3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Sr and four equivalent Nb atoms to form a mixture of distorted edge, face, and corner-sharing SrSr4Nb4 tetrahedra. All Sr–Sr bond lengths are 3.72 Å. All Sr–Nb bond lengths are 3.72 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Sr and six equivalent Nb atoms. All Sr–Nb bond lengths are 4.29 Å. Nb is bonded in a body-centered cubic geometry to fourteen Sr atoms.

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36 MATERIALS SCIENCEcrystal structureNb-SrSr3Nb

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2020-07-23. Materials Data on Sr3Nb by Materials Project. https://doi.org/10.17188/1651517

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