Ca3SnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. Sn(1) is bonded in a linear geometry to two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ca(2) and one Ca(3) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Ca(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Ca(3) atom.
Ca3SnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Both Ca(1)-F(2) bond lengths are 2.15 Å. Both Ca(1)-F(3) bond lengths are 2.24 Å. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Ca(2)-F(1) bond lengths are 2.20 Å. Both Ca(2)-F(3) bond lengths are 2.38 Å. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Ca(3)-F(1) bond lengths are 2.27 Å. Both Ca(3)-F(3) bond lengths are 2.28 Å. Sn(1) is bonded in a linear geometry to two equivalent F(2) atoms. Both Sn(1)-F(2) bond lengths are 2.26 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ca(2) and one Ca(3) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Ca(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Ca(3) atom.