Sc2Ni12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Ni(4) and six equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded in a 18-coordinate geometry to three equivalent Ni(3), three equivalent Ni(4), six equivalent Ni(1), and six equivalent P(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Sc(2), two equivalent P(2), and two equivalent P(3) atoms to form distorted NiSc2P4 tetrahedra that share corners with two equivalent Ni(3)ScP4 tetrahedra, corners with four equivalent Ni(1)Sc2P4 tetrahedra, edges with two equivalent Ni(1)Sc2P4 tetrahedra, edges with two equivalent Ni(3)ScP4 tetrahedra, faces with two equivalent Ni(1)Sc2P4 tetrahedra, and faces with two equivalent Ni(3)ScP4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the third Ni site, Ni(3) is bonded to one Sc(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted NiScP4 tetrahedra that share corners with two equivalent Ni(1)Sc2P4 tetrahedra, corners with six equivalent Ni(3)ScP4 tetrahedra, edges with two equivalent Ni(1)Sc2P4 tetrahedra, and faces with two equivalent Ni(1)Sc2P4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one Sc(2), two equivalent Sc(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ni(3) and six equivalent Ni(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms.
Sc2Ni12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Ni(4) and six equivalent P(2) atoms. All Sc(1)-Ni(4) bond lengths are 2.88 Å. All Sc(1)-P(2) bond lengths are 2.77 Å. In the second Sc site, Sc(2) is bonded in a 18-coordinate geometry to three equivalent Ni(3), three equivalent Ni(4), six equivalent Ni(1), and six equivalent P(3) atoms. All Sc(2)-Ni(3) bond lengths are 3.02 Å. All Sc(2)-Ni(4) bond lengths are 3.18 Å. All Sc(2)-Ni(1) bond lengths are 2.93 Å. All Sc(2)-P(3) bond lengths are 2.78 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Sc(2), two equivalent P(2), and two equivalent P(3) atoms to form distorted NiSc2P4 tetrahedra that share corners with two equivalent Ni(3)ScP4 tetrahedra, corners with four equivalent Ni(1)Sc2P4 tetrahedra, edges with two equivalent Ni(1)Sc2P4 tetrahedra, edges with two equivalent Ni(3)ScP4 tetrahedra, faces with two equivalent Ni(1)Sc2P4 tetrahedra, and faces with two equivalent Ni(3)ScP4 tetrahedra. Both Ni(1)-P(2) bond lengths are 2.27 Å. There is one shorter (2.19 Å) and one longer (2.27 Å) Ni(1)-P(3) bond length. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Ni(2)-P(3) bond length is 2.29 Å. Both Ni(2)-P(1) bond lengths are 2.47 Å. Both Ni(2)-P(2) bond lengths are 2.51 Å. In the third Ni site, Ni(3) is bonded to one Sc(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted NiScP4 tetrahedra that share corners with two equivalent Ni(1)Sc2P4 tetrahedra, corners with six equivalent Ni(3)ScP4 tetrahedra, edges with two equivalent Ni(1)Sc2P4 tetrahedra, and faces with two equivalent Ni(1)Sc2P4 tetrahedra. The Ni(3)-P(1) bond length is 2.14 Å. The Ni(3)-P(2) bond length is 2.22 Å. Both Ni(3)-P(3) bond lengths are 2.27 Å. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one Sc(2), two equivalent Sc(1), two equivalent P(2), and two equivalent P(3) atoms. There is one shorter (2.17 Å) and one longer (2.20 Å) Ni(4)-P(2) bond length. Both Ni(4)-P(3) bond lengths are 2.31 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ni(3) and six equivalent Ni(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms.