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Results for “Nb-Si-Sn”

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DOE OSTI2020

Materials Data on Nb5SiSn2 by Materials Project

Nb5Sn2Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to four equivalent Sn and two equivalent Si atoms. There are a spread of Nb–Sn bond distances ranging from 2.83–3.07 Å. Both Nb–Si bond lengths are 2.70 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sn atoms. Both Nb–Nb bond lengths are 2.58 Å. All Nb–Sn bond lengths are 2.86 Å. Sn is bonded in a 10-coordinate geometry to ten Nb atoms. Si is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Si atoms. Both Si–Si bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Nb6SiSn by Materials Project

Nb6SnSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Sn, and two equivalent Si atoms. There are one shorter (2.53 Å) and one longer (2.71 Å) Nb–Nb bond lengths. Both Nb–Sn bond lengths are 2.95 Å. Both Nb–Si bond lengths are 2.91 Å. Sn is bonded to twelve equivalent Nb atoms to form SnNb12 cuboctahedra that share edges with six equivalent SnNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve equivalent Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent SnNb12 cuboctahedra.

36 MATERIALS SCIENCE↗