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Results for “Fe-Te-Zr”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zr6FeTe2 by Materials Project

Zr6FeTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Te atoms. Both Zr–Fe bond lengths are 2.61 Å. Both Zr–Te bond lengths are 3.05 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Te atoms. The Zr–Fe bond length is 3.16 Å. All Zr–Te bond lengths are 2.99 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Te is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrFeTe by Materials Project

ZrFeTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Fe and six equivalent Te atoms. All Zr–Fe bond lengths are 2.65 Å. All Zr–Te bond lengths are 3.06 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Te atoms. All Fe–Te bond lengths are 2.65 Å. Te is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗