Sc(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to twelve equivalent Ni(1), two equivalent Ge(5), and six equivalent Ge(1) atoms to form distorted corner-sharing ScNi12Ge8 hexagonal bipyramids. In the second Sc site, Sc(2) is bonded to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Ge(4), two equivalent Ge(6), and four equivalent Ge(2) atoms to form a mixture of distorted face and corner-sharing ScNi12Ge8 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Sc(1), one Sc(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(5), one Ge(6), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to two equivalent Sc(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(1), one Ge(2), one Ge(3), one Ge(4), and two equivalent Ge(6) atoms. There are six inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Ge site, Ge(3) is bonded in a 6-coordinate geometry to six equivalent Ni(2) atoms. In the third Ge site, Ge(4) is bonded in a 9-coordinate geometry to three equivalent Sc(2) and six equivalent Ni(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Ni(1), and one Ge(5) atom. In the fifth Ge site, Ge(6) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Ni(1), four equivalent Ni(2), and one Ge(6) atom. In the sixth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Sc(1), two equivalent Ni(2), and four equivalent Ni(1) atoms.
Sc(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to twelve equivalent Ni(1), two equivalent Ge(5), and six equivalent Ge(1) atoms to form distorted corner-sharing ScNi12Ge8 hexagonal bipyramids. All Sc(1)-Ni(1) bond lengths are 3.23 Å. Both Sc(1)-Ge(5) bond lengths are 2.68 Å. All Sc(1)-Ge(1) bond lengths are 2.94 Å. In the second Sc site, Sc(2) is bonded to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Ge(4), two equivalent Ge(6), and four equivalent Ge(2) atoms to form a mixture of distorted face and corner-sharing ScNi12Ge8 hexagonal bipyramids. All Sc(2)-Ni(1) bond lengths are 3.21 Å. All Sc(2)-Ni(2) bond lengths are 3.22 Å. Both Sc(2)-Ge(4) bond lengths are 2.95 Å. Both Sc(2)-Ge(6) bond lengths are 2.66 Å. All Sc(2)-Ge(2) bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Sc(1), one Sc(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(5), one Ge(6), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both Ni(1)-Ni(1) bond lengths are 2.55 Å. Both Ni(1)-Ni(2) bond lengths are 2.55 Å. The Ni(1)-Ge(5) bond length is 2.64 Å. The Ni(1)-Ge(6) bond length is 2.66 Å. Both Ni(1)-Ge(1) bond lengths are 2.46 Å. Both Ni(1)-Ge(2) bond lengths are 2.44 Å. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to two equivalent Sc(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(1), one Ge(2), one Ge(3), one Ge(4), and two equivalent Ge(6) atoms. Both Ni(2)-Ni(2) bond lengths are 2.55 Å. The Ni(2)-Ge(1) bond length is 2.44 Å. The Ni(2)-Ge(2) bond length is 2.45 Å. The Ni(2)-Ge(3) bond length is 2.44 Å. The Ni(2)-Ge(4) bond length is 2.46 Å. Both Ni(2)-Ge(6) bond lengths are 2.65 Å. There are six inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Ge site, Ge(3) is bonded in a 6-coordinate geometry to six equivalent Ni(2) atoms. In the third Ge site, Ge(4) is bonded in a 9-coordinate geometry to three equivalent Sc(2) and six equivalent Ni(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Ni(1), and one Ge(5) atom. The Ge(5)-Ge(5) bond length is 2.47 Å. In the fifth Ge site, Ge(6) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Ni(1), four equivalent Ni(2), and one Ge(6) atom. The Ge(6)-Ge(6) bond length is 2.50 Å. In the sixth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Sc(1), two equivalent Ni(2), and four equivalent Ni(1) atoms.