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.
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