Rb3TiF6 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F6 octahedra, and faces with four equivalent Ti(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Rb(2)F6 octahedra and faces with eight equivalent Rb(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 one Rb(2), four equivalent Rb(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(2), four equivalent Rb(1), and one Ti(1) atom.
Rb3TiF6 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F6 octahedra, and faces with four equivalent Ti(1)F6 octahedra. All Rb(1)-F(2) bond lengths are 3.27 Å. All Rb(1)-F(1) bond lengths are 3.24 Å. In the second Rb site, Rb(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Rb(2)-F(2) bond lengths are 2.60 Å. All Rb(2)-F(1) bond lengths are 2.60 Å. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Rb(2)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-F(2) bond lengths are 1.93 Å. All Ti(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 one Rb(2), four equivalent Rb(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(2), four equivalent Rb(1), and one Ti(1) atom.