Rb3PdF5 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted q6 geometry to two equivalent F(2) and eight equivalent F(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Pd(1) atom to form distorted FRb5Pd octahedra that share corners with four equivalent F(2)Rb6 octahedra, corners with thirteen equivalent F(1)Rb5Pd octahedra, edges with five equivalent F(1)Rb5Pd octahedra, faces with two equivalent F(2)Rb6 octahedra, and faces with three equivalent F(1)Rb5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-80°. In the second F site, F(2) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form FRb6 octahedra that share corners with six equivalent F(2)Rb6 octahedra, corners with sixteen equivalent F(1)Rb5Pd octahedra, and faces with eight equivalent F(1)Rb5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
Rb3PdF5 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted q6 geometry to two equivalent F(2) and eight equivalent F(1) atoms. Both Rb(1)-F(2) bond lengths are 3.20 Å. All Rb(1)-F(1) bond lengths are 3.20 Å. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent F(2) and six equivalent F(1) atoms. Both Rb(2)-F(2) bond lengths are 2.75 Å. There are two shorter (2.73 Å) and four longer (2.94 Å) Rb(2)-F(1) bond lengths. Pd(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Pd(1)-F(1) bond lengths are 1.96 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Pd(1) atom to form distorted FRb5Pd octahedra that share corners with four equivalent F(2)Rb6 octahedra, corners with thirteen equivalent F(1)Rb5Pd octahedra, edges with five equivalent F(1)Rb5Pd octahedra, faces with two equivalent F(2)Rb6 octahedra, and faces with three equivalent F(1)Rb5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-80°. In the second F site, F(2) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form FRb6 octahedra that share corners with six equivalent F(2)Rb6 octahedra, corners with sixteen equivalent F(1)Rb5Pd octahedra, and faces with eight equivalent F(1)Rb5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-65°.