Pd2B is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Pd(1) is bonded in a distorted trigonal planar geometry to three equivalent B(1) atoms. B(1) is bonded to six equivalent Pd(1) atoms to form a mixture of corner and edge-sharing BPd6 octahedra. The corner-sharing octahedral tilt angles are 52°.
Pd2B is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Pd(1) is bonded in a distorted trigonal planar geometry to three equivalent B(1) atoms. There are two shorter (2.11 Å) and one longer (2.14 Å) Pd(1)-B(1) bond length. B(1) is bonded to six equivalent Pd(1) atoms to form a mixture of corner and edge-sharing BPd6 octahedra. The corner-sharing octahedral tilt angles are 52°.