NbInSe2 crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Se(1) atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. In(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb(1) and one In(1) atom.
NbInSe2 crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Se(1) atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb(1)-Se(1) bond lengths are 2.60 Å. In(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Both In(1)-Se(1) bond lengths are 2.99 Å. Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb(1) and one In(1) atom.