ScTlF6(Tl)2 crystallizes in the tetragonal P4/mnc space group. The structure consists of four 7440-28-0 atoms inside a ScTlF6 framework. In the ScTlF6 framework, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ScF6 octahedra that share corners with six equivalent Tl(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. Tl(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent Sc(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Tl(2) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Sc(1) and one Tl(2) atom.
ScTlF6(Tl)2 crystallizes in the tetragonal P4/mnc space group. The structure consists of four 7440-28-0 atoms inside a ScTlF6 framework. In the ScTlF6 framework, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ScF6 octahedra that share corners with six equivalent Tl(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. Both Sc(1)-F(2) bond lengths are 2.03 Å. All Sc(1)-F(1) bond lengths are 2.02 Å. Tl(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent Sc(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. Both Tl(2)-F(2) bond lengths are 2.67 Å. All Tl(2)-F(1) bond lengths are 2.69 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Tl(2) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Sc(1) and one Tl(2) atom.