ZrRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent Rh(1) atoms to form ZrRh12 cuboctahedra that share corners with twelve equivalent Zr(1)Rh12 cuboctahedra, faces with six equivalent Zr(1)Rh12 cuboctahedra, and faces with eight equivalent B(1)Rh6 octahedra. Rh(1) is bonded to four equivalent Zr(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing RhZr4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Rh(1) atoms to form BRh6 octahedra that share corners with six equivalent B(1)Rh6 octahedra and faces with eight equivalent Zr(1)Rh12 cuboctahedra. The corner-sharing octahedra are not tilted.
ZrRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent Rh(1) atoms to form ZrRh12 cuboctahedra that share corners with twelve equivalent Zr(1)Rh12 cuboctahedra, faces with six equivalent Zr(1)Rh12 cuboctahedra, and faces with eight equivalent B(1)Rh6 octahedra. All Zr(1)-Rh(1) bond lengths are 2.91 Å. Rh(1) is bonded to four equivalent Zr(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing RhZr4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Both Rh(1)-B(1) bond lengths are 2.06 Å. B(1) is bonded to six equivalent Rh(1) atoms to form BRh6 octahedra that share corners with six equivalent B(1)Rh6 octahedra and faces with eight equivalent Zr(1)Rh12 cuboctahedra. The corner-sharing octahedra are not tilted.