TbY3Ni8(B2C)4 crystallizes in the tetragonal P4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to four equivalent C(2) atoms. In the second Y site, Y(2) is bonded in a square co-planar geometry to four equivalent C(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent B(1) and two equivalent B(4) atoms to form NiB4 tetrahedra that share corners with two equivalent C(1)Tb4B2 octahedra, corners with two equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with four equivalent Ni(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Ni site, Ni(2) is bonded to two equivalent B(2) and two equivalent B(3) atoms to form NiB4 tetrahedra that share corners with two equivalent C(2)Y4B2 octahedra, corners with two equivalent C(3)Y4B2 octahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent Ni(2)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(2) atom. In the second B site, B(2) is bonded in a distorted single-bond geometry to four equivalent Ni(2) and one C(3) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to four equivalent Ni(2) and one C(2) atom. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Tb(1) and two equivalent B(4) atoms to form distorted CTb4B2 octahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with eight equivalent Ni(1)B4 tetrahedra, and edges with four equivalent C(1)Tb4B2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Y(1), one B(1), and one B(3) atom to form distorted CY4B2 octahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(2)Y4B2 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to four equivalent Y(2) and two equivalent B(2) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(3)Y4B2 octahedra, corners with eight equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(3)Y4B2 octahedra. The corner-sharing octahedra are not tilted.
TbY3Ni8(B2C)4 crystallizes in the tetragonal P4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. All Tb(1)-C(1) bond lengths are 2.50 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a rectangular see-saw-like geometry to four equivalent C(2) atoms. All Y(1)-C(2) bond lengths are 2.50 Å. In the second Y site, Y(2) is bonded in a square co-planar geometry to four equivalent C(3) atoms. All Y(2)-C(3) bond lengths are 2.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent B(1) and two equivalent B(4) atoms to form NiB4 tetrahedra that share corners with two equivalent C(1)Tb4B2 octahedra, corners with two equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with four equivalent Ni(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. Both Ni(1)-B(1) bond lengths are 2.09 Å. Both Ni(1)-B(4) bond lengths are 2.09 Å. In the second Ni site, Ni(2) is bonded to two equivalent B(2) and two equivalent B(3) atoms to form NiB4 tetrahedra that share corners with two equivalent C(2)Y4B2 octahedra, corners with two equivalent C(3)Y4B2 octahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent Ni(2)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. Both Ni(2)-B(2) bond lengths are 2.09 Å. Both Ni(2)-B(3) bond lengths are 2.09 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(2) atom. The B(1)-C(2) bond length is 1.49 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to four equivalent Ni(2) and one C(3) atom. The B(2)-C(3) bond length is 1.49 Å. In the third B site, B(3) is bonded in a distorted single-bond geometry to four equivalent Ni(2) and one C(2) atom. The B(3)-C(2) bond length is 1.49 Å. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. The B(4)-C(1) bond length is 1.49 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Tb(1) and two equivalent B(4) atoms to form distorted CTb4B2 octahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with eight equivalent Ni(1)B4 tetrahedra, and edges with four equivalent C(1)Tb4B2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Y(1), one B(1), and one B(3) atom to form distorted CY4B2 octahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(2)Y4B2 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to four equivalent Y(2) and two equivalent B(2) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(3)Y4B2 octahedra, corners with eight equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(3)Y4B2 octahedra. The corner-sharing octahedra are not tilted.