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DOE OSTI · 1315511

Materials Data on NaTc3 by Materials Project

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Abstract

NaTc3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to fourteen Tc+0.33- atoms. There are eight shorter (2.70 Å) and six longer (3.11 Å) Na–Tc bond lengths. There are two inequivalent Tc+0.33- sites. In the first Tc+0.33- site, Tc+0.33- is bonded to four equivalent Na1+ and four equivalent Tc+0.33- atoms to form a mixture of distorted face, edge, and corner-sharing TcNa4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.70 Å. In the second Tc+0.33- site, Tc+0.33- is bonded in a 8-coordinate geometry to six equivalent Na1+ and eight equivalent Tc+0.33- atoms.

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36 MATERIALS SCIENCEcrystal structureNa-TcNaTc3

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2020-07-24. Materials Data on NaTc3 by Materials Project. https://doi.org/10.17188/1315511

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