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DOE OSTI2020

Materials Data on NbInSe2 by Materials Project

NbInSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.61 Å. In1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both In–Se bond lengths are 3.02 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb3+ and one In1+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NbInSe2 by Materials Project

NbInSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All In–Se bond lengths are 3.30 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Nb3+ and three equivalent In1+ atoms.

36 MATERIALS SCIENCE↗