Materials Data on NbSBr by Materials Project
NbSBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to three equivalent S2- and three equivalent Br1- atoms to form distorted edge-sharing NbS3Br3 octahedra. All Nb–S bond lengths are 2.42 Å. All Nb–Br bond lengths are 2.84 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms. Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb3+ atoms.
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