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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zr4Sn3 by Materials Project

Zr4Sn3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.92–3.17 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.05 Å) and six longer (3.33 Å) Zr–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to eight Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr4Sn3 by Materials Project

Zr4Sn3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to five equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.98–3.16 Å. In the second Zr site, Zr is bonded in a distorted trigonal planar geometry to three equivalent Sn atoms. All Zr–Sn bond lengths are 2.99 Å. Sn is bonded in a 6-coordinate geometry to six Zr atoms.

36 MATERIALS SCIENCE↗