K2LiPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Li(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent K(1), one Li(1), and one Pd(1) atom to form a mixture of distorted corner and edge-sharing FK4LiPd octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
K2LiPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Li(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. All K(1)-F(2) bond lengths are 2.90 Å. All K(1)-F(1) bond lengths are 2.95 Å. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Li(1)-F(2) bond lengths are 2.02 Å. All Li(1)-F(1) bond lengths are 2.10 Å. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Pd(1)-F(2) bond lengths are 2.21 Å. All Pd(1)-F(1) bond lengths are 2.00 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Li(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent K(1), one Li(1), and one Pd(1) atom to form a mixture of distorted corner and edge-sharing FK4LiPd octahedra. The corner-sharing octahedral tilt angles range from 0-4°.