LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(1) is bonded to twelve equivalent Pd(1) atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent La(1)Pd12 cuboctahedra, faces with six equivalent La(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. Pd(1) is bonded to four equivalent La(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Pd(1) atoms to form BPd6 octahedra that share corners with six equivalent B(1)Pd6 octahedra and faces with eight equivalent La(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.
LaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(1) is bonded to twelve equivalent Pd(1) atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent La(1)Pd12 cuboctahedra, faces with six equivalent La(1)Pd12 cuboctahedra, and faces with eight equivalent B(1)Pd6 octahedra. All La(1)-Pd(1) bond lengths are 3.12 Å. Pd(1) is bonded to four equivalent La(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Both Pd(1)-B(1) bond lengths are 2.21 Å. B(1) is bonded to six equivalent Pd(1) atoms to form BPd6 octahedra that share corners with six equivalent B(1)Pd6 octahedra and faces with eight equivalent La(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.