Materials Data on Nb3Si2 by Materials Project
Nb3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Nb+2.67+ sites. In the first Nb+2.67+ site, Nb+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.66 Å. In the second Nb+2.67+ site, Nb+2.67+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (2.60 Å) and four longer (2.70 Å) Nb–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to eight Nb+2.67+ and one Si4- atom. The Si–Si bond length is 2.44 Å.
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