NdB4 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded to twelve equivalent B(1) atoms to form a mixture of face and edge-sharing NdB12 cuboctahedra. B(1) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent B(1) atoms.
NdB4 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded to twelve equivalent B(1) atoms to form a mixture of face and edge-sharing NdB12 cuboctahedra. There are four shorter (2.60 Å) and eight longer (2.82 Å) Nd(1)-B(1) bond lengths. B(1) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent B(1) atoms. There is one shorter (1.67 Å) and one longer (1.70 Å) B(1)-B(1) bond length.