NbNSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and five equivalent Se(1) atoms. N(1) is bonded to four equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNb4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms.
NbNSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and five equivalent Se(1) atoms. All Nb(1)-N(1) bond lengths are 2.14 Å. There is one shorter (2.84 Å) and four longer (2.92 Å) Nb(1)-Se(1) bond lengths. N(1) is bonded to four equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNb4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms.