Nb5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to five equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing NbSe5 square pyramids. In the second Nb site, Nb(2) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to one Nb(2) and five equivalent Nb(1) atoms.
Nb5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to five equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing NbSe5 square pyramids. There are a spread of Nb(1)-Se(1) bond distances ranging from 2.62-2.69 Å. In the second Nb site, Nb(2) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. All Nb(2)-Se(1) bond lengths are 2.87 Å. Se(1) is bonded in a 6-coordinate geometry to one Nb(2) and five equivalent Nb(1) atoms.