CaTbF6 crystallizes in the tetragonal P4_2/m space group. Ca(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. Tb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Tb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Tb(1) atoms.
CaTbF6 crystallizes in the tetragonal P4_2/m space group. Ca(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. Both Ca(1)-F(2) bond lengths are 2.52 Å. All Ca(1)-F(1) bond lengths are 2.24 Å. Tb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All Tb(1)-F(1) bond lengths are 2.22 Å. All Tb(1)-F(2) bond lengths are 2.41 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Tb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Tb(1) atoms.