YNiBC crystallizes in the tetragonal P4/nmm space group. Y(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing YC5 square pyramids. Ni(1) is bonded to four equivalent B(1) atoms to form distorted NiB4 tetrahedra that share corners with four equivalent C(1)Y5B 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 59°. B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. C(1) is bonded to five equivalent Y(1) and one B(1) atom to form distorted CY5B octahedra that share corners with four equivalent C(1)Y5B octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with eight equivalent C(1)Y5B octahedra. The corner-sharing octahedral tilt angles are 2°.
YNiBC crystallizes in the tetragonal P4/nmm space group. Y(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing YC5 square pyramids. There is one shorter (2.44 Å) and four longer (2.54 Å) Y(1)-C(1) bond lengths. Ni(1) is bonded to four equivalent B(1) atoms to form distorted NiB4 tetrahedra that share corners with four equivalent C(1)Y5B 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 59°. All Ni(1)-B(1) bond lengths are 2.10 Å. B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. The B(1)-C(1) bond length is 1.50 Å. C(1) is bonded to five equivalent Y(1) and one B(1) atom to form distorted CY5B octahedra that share corners with four equivalent C(1)Y5B octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with eight equivalent C(1)Y5B octahedra. The corner-sharing octahedral tilt angles are 2°.