DOE OSTI2020
RbPdCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent PdCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.50–3.57 Å. Pd2+ is bonded to six Cl1- atoms to form PdCl6 octahedra that share corners with six equivalent PdCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Pd–Cl bond lengths are 2.50 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Pd2+ atoms to form a mixture of distorted edge, corner, and face-sharing ClRb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Pd2+ atoms to form a mixture of distorted edge, corner, and face-sharing ClRb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the third Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Pd2+ atoms to form a mixture of distorted edge, corner, and face-sharing ClRb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°.