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 6-coordinate geometry to six equivalent Se(1) atoms. Se(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) and three equivalent In(1) atoms.
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 2.63 Å. In(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. All In(1)-Se(1) bond lengths are 3.27 Å. Se(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) and three equivalent In(1) atoms.