Materials Data on NbSeI by Materials Project
NbSeI crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to three equivalent Se2- and three equivalent I1- atoms to form distorted edge-sharing NbSe3I3 octahedra. All Nb–Se bond lengths are 2.56 Å. All Nb–I bond lengths are 3.04 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms. I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb3+ atoms.
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