Ni2Nb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Nb(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra.
Ni2Nb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. There are three shorter (2.90 Å) and one longer (3.03 Å) Nb(1)-Nb(1) bond length. All Nb(1)-Ni(1) bond lengths are 2.80 Å. There are three shorter (2.74 Å) and six longer (2.84 Å) Nb(1)-Ni(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.40 Å. In the second Ni site, Ni(2) is bonded to six equivalent Nb(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.43 Å) Ni(2)-Ni(2) bond lengths.