Cs3YF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. In the second Cs site, Cs(2) is bonded in a linear geometry to two equivalent F(2) atoms. Y(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Cs(1) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2) and one Y(1) atom.
Cs3YF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. All Cs(1)-F(1) bond lengths are 2.93 Å. In the second Cs site, Cs(2) is bonded in a linear geometry to two equivalent F(2) atoms. Both Cs(2)-F(2) bond lengths are 2.83 Å. Y(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. Both Y(1)-F(2) bond lengths are 2.24 Å. All Y(1)-F(1) bond lengths are 2.18 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Cs(1) and one Y(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2) and one Y(1) atom.