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DOE OSTI · 1759516

Materials Data on TaSb3 by Materials Project

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Abstract

TaSb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta3+ is bonded in a distorted body-centered cubic geometry to fourteen Sb1- atoms. There are eight shorter (3.12 Å) and six longer (3.60 Å) Ta–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted body-centered cubic geometry to four equivalent Ta3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.12 Å. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six equivalent Ta3+ and eight equivalent Sb1- atoms.

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36 MATERIALS SCIENCEcrystal structureSb-TaTaSb3

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2020-09-03. Materials Data on TaSb3 by Materials Project. https://doi.org/10.17188/1759516

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