Materials Data on UNi2B2C by Materials Project
UNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All U–C bond lengths are 2.46 Å. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CU4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ni–B bond lengths are 2.08 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C4- atom. The B–C bond length is 1.51 Å. C4- is bonded to four equivalent U6+ and two equivalent B3- atoms to form distorted CU4B2 octahedra that share corners with four equivalent CU4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CU4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.