Nb3Pd crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and four equivalent Pd(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Nb(2) atoms. Pd(1) is bonded to eight equivalent Nb(1) and four equivalent Pd(1) atoms to form a mixture of distorted face and corner-sharing PdNb8Pd4 cuboctahedra.
Nb3Pd crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and four equivalent Pd(1) atoms. Both Nb(1)-Nb(2) bond lengths are 2.92 Å. There are two shorter (2.78 Å) and two longer (3.11 Å) Nb(1)-Pd(1) bond lengths. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Nb(2) atoms. All Nb(2)-Nb(2) bond lengths are 2.81 Å. Pd(1) is bonded to eight equivalent Nb(1) and four equivalent Pd(1) atoms to form a mixture of distorted face and corner-sharing PdNb8Pd4 cuboctahedra. All Pd(1)-Pd(1) bond lengths are 2.81 Å.