CaSn2F6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one F(1), one F(4), one F(6), and two equivalent F(3) atoms. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one F(2), two equivalent F(1), and two equivalent F(5) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Sn(1) and two equivalent Sn(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Sn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Sn(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Sn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Sn(1) atom.
CaSn2F6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms. The Ca(1)-F(3) bond length is 2.35 Å. The Ca(1)-F(5) bond length is 2.41 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) Ca(1)-F(2) bond length. There is one shorter (2.30 Å) and one longer (2.41 Å) Ca(1)-F(4) bond length. There is one shorter (2.32 Å) and one longer (2.44 Å) Ca(1)-F(6) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one F(1), one F(4), one F(6), and two equivalent F(3) atoms. The Sn(1)-F(1) bond length is 2.55 Å. The Sn(1)-F(4) bond length is 2.15 Å. The Sn(1)-F(6) bond length is 2.08 Å. There is one shorter (2.09 Å) and one longer (2.64 Å) Sn(1)-F(3) bond length. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one F(2), two equivalent F(1), and two equivalent F(5) atoms. The Sn(2)-F(2) bond length is 2.13 Å. There is one shorter (2.06 Å) and one longer (2.64 Å) Sn(2)-F(1) bond length. There is one shorter (2.17 Å) and one longer (2.44 Å) Sn(2)-F(5) bond length. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Sn(1) and two equivalent Sn(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Sn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Sn(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Sn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Sn(1) atom.