Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and five equivalent P(1) atoms. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. Pd(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), five equivalent Pd(1), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Pd(1) atoms.
Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and five equivalent P(1) atoms. There are a spread of Nb(1)-Pd(1) bond distances ranging from 2.90-3.07 Å. There are a spread of Nb(1)-P(1) bond distances ranging from 2.59-3.00 Å. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent P(1) atoms. All Nb(2)-P(1) bond lengths are 2.62 Å. Pd(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), five equivalent Pd(1), and three equivalent P(1) atoms. There are four shorter (2.87 Å) and one longer (3.14 Å) Pd(1)-Pd(1) bond length. There are two shorter (2.38 Å) and one longer (2.49 Å) Pd(1)-P(1) bond length. P(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Pd(1) atoms.