TlCdF3 crystallizes in the orthorhombic Pbam space group. The structure consists of four 7440-28-0 atoms inside a Cd2TlF6 framework. In the Cd2TlF6 framework, Cd(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. Tl(2) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(3) atoms. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) atoms. In the second F site, F(5) is bonded in a linear geometry to two equivalent Cd(1) atoms. In the third F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) atoms. In the fourth F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) and one Tl(2) atom. In the fifth F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) and one Tl(2) atom.
TlCdF3 crystallizes in the orthorhombic Pbam space group. The structure consists of four 7440-28-0 atoms inside a Cd2TlF6 framework. In the Cd2TlF6 framework, Cd(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. The Cd(1)-F(1) bond length is 2.23 Å. The Cd(1)-F(2) bond length is 2.23 Å. The Cd(1)-F(4) bond length is 2.23 Å. The Cd(1)-F(5) bond length is 2.23 Å. There is one shorter (2.22 Å) and one longer (2.25 Å) Cd(1)-F(3) bond length. Tl(2) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(3) atoms. The Tl(2)-F(2) bond length is 2.77 Å. Both Tl(2)-F(3) bond lengths are 2.75 Å. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) atoms. In the second F site, F(5) is bonded in a linear geometry to two equivalent Cd(1) atoms. In the third F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) atoms. In the fourth F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) and one Tl(2) atom. In the fifth F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cd(1) and one Tl(2) atom.