Nb5Ni(Ru5B2)2 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 12-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), four equivalent Ru(3), and three equivalent B(1) atoms. In the second Nb site, Nb(2) is bonded in a body-centered cubic geometry to eight equivalent Ru(3) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1) and four equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Nb(1), two equivalent Ni(1), and two equivalent B(1) atoms. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Nb(2), four equivalent Nb(1), and two equivalent B(1) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(2) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Nb(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms.
Nb5Ni(Ru5B2)2 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 12-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), four equivalent Ru(3), and three equivalent B(1) atoms. Both Nb(1)-Ru(1) bond lengths are 2.79 Å. There are two shorter (2.82 Å) and two longer (2.91 Å) Nb(1)-Ru(2) bond lengths. There are two shorter (2.84 Å) and two longer (2.97 Å) Nb(1)-Ru(3) bond lengths. There are a spread of Nb(1)-B(1) bond distances ranging from 2.64-2.95 Å. In the second Nb site, Nb(2) is bonded in a body-centered cubic geometry to eight equivalent Ru(3) atoms. All Nb(2)-Ru(3) bond lengths are 2.64 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1) and four equivalent B(1) atoms. All Ru(1)-B(1) bond lengths are 2.23 Å. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Nb(1), two equivalent Ni(1), and two equivalent B(1) atoms. Both Ru(2)-Ni(1) bond lengths are 2.58 Å. Both Ru(2)-B(1) bond lengths are 2.15 Å. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Nb(2), four equivalent Nb(1), and two equivalent B(1) atoms. Both Ru(3)-B(1) bond lengths are 2.21 Å. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(2) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Nb(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms.