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DOE OSTI · 1695397

Materials Data on TcAs3 by Materials Project

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Abstract

TcAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc1+ is bonded in a distorted body-centered cubic geometry to fourteen As+0.33- atoms. There are eight shorter (2.79 Å) and six longer (3.22 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded in a 8-coordinate geometry to six equivalent Tc1+ and eight equivalent As+0.33- atoms.

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36 MATERIALS SCIENCEAs-Tccrystal structureTcAs3

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2020-05-04. Materials Data on TcAs3 by Materials Project. https://doi.org/10.17188/1695397

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