Tb2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(1), and six equivalent As(2) atoms. In the second Tb site, Tb(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), six equivalent Ni(2), and six equivalent As(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Tb(2), two equivalent Tb(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted NiTb3As4 tetrahedra that share corners with two equivalent Ni(4)TbAs4 tetrahedra, corners with six equivalent Ni(1)Tb3As4 tetrahedra, edges with two equivalent Ni(1)Tb3As4 tetrahedra, edges with two equivalent Ni(4)TbAs4 tetrahedra, faces with two equivalent Ni(1)Tb3As4 tetrahedra, and faces with two equivalent Ni(4)TbAs4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent As(2), and two equivalent As(3) atoms. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the fourth Ni site, Ni(4) is bonded to one Tb(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiTbAs4 tetrahedra that share corners with two equivalent Ni(1)Tb3As4 tetrahedra, corners with six equivalent Ni(4)TbAs4 tetrahedra, edges with two equivalent Ni(1)Tb3As4 tetrahedra, and faces with two equivalent Ni(1)Tb3As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Ni(4) and six equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Tb(2), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms.
Tb2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(1), and six equivalent As(2) atoms. All Tb(1)-Ni(2) bond lengths are 3.27 Å. All Tb(1)-Ni(4) bond lengths are 3.12 Å. All Tb(1)-Ni(1) bond lengths are 3.11 Å. All Tb(1)-As(2) bond lengths are 2.97 Å. In the second Tb site, Tb(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), six equivalent Ni(2), and six equivalent As(3) atoms. All Tb(2)-Ni(1) bond lengths are 3.22 Å. All Tb(2)-Ni(2) bond lengths are 3.04 Å. All Tb(2)-As(3) bond lengths are 2.96 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Tb(2), two equivalent Tb(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted NiTb3As4 tetrahedra that share corners with two equivalent Ni(4)TbAs4 tetrahedra, corners with six equivalent Ni(1)Tb3As4 tetrahedra, edges with two equivalent Ni(1)Tb3As4 tetrahedra, edges with two equivalent Ni(4)TbAs4 tetrahedra, faces with two equivalent Ni(1)Tb3As4 tetrahedra, and faces with two equivalent Ni(4)TbAs4 tetrahedra. There is one shorter (2.34 Å) and one longer (2.41 Å) Ni(1)-As(2) bond length. Both Ni(1)-As(3) bond lengths are 2.37 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent As(2), and two equivalent As(3) atoms. Both Ni(2)-As(2) bond lengths are 2.38 Å. There is one shorter (2.31 Å) and one longer (2.33 Å) Ni(2)-As(3) bond length. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. The Ni(3)-As(2) bond length is 2.41 Å. Both Ni(3)-As(1) bond lengths are 2.55 Å. Both Ni(3)-As(3) bond lengths are 2.62 Å. In the fourth Ni site, Ni(4) is bonded to one Tb(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiTbAs4 tetrahedra that share corners with two equivalent Ni(1)Tb3As4 tetrahedra, corners with six equivalent Ni(4)TbAs4 tetrahedra, edges with two equivalent Ni(1)Tb3As4 tetrahedra, and faces with two equivalent Ni(1)Tb3As4 tetrahedra. The Ni(4)-As(1) bond length is 2.24 Å. The Ni(4)-As(3) bond length is 2.31 Å. Both Ni(4)-As(2) bond lengths are 2.38 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Ni(4) and six equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Tb(2), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms.