CaSnF5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Sn(1)F6 octahedra, edges with two equivalent Sn(1)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 13-48°. Sn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form SnF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra, corners with four equivalent Ca(1)F7 pentagonal bipyramids, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Sn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Sn(1) atoms.
CaSnF5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted CaF7 pentagonal bipyramids that share corners with four equivalent Sn(1)F6 octahedra, edges with two equivalent Sn(1)F6 octahedra, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 13-48°. The Ca(1)-F(3) bond length is 2.23 Å. The Ca(1)-F(4) bond length is 2.23 Å. The Ca(1)-F(5) bond length is 2.60 Å. There is one shorter (2.39 Å) and one longer (2.58 Å) Ca(1)-F(1) bond length. There is one shorter (2.36 Å) and one longer (2.54 Å) Ca(1)-F(2) bond length. Sn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form SnF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra, corners with four equivalent Ca(1)F7 pentagonal bipyramids, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. The Sn(1)-F(1) bond length is 2.22 Å. The Sn(1)-F(2) bond length is 2.20 Å. The Sn(1)-F(3) bond length is 2.11 Å. The Sn(1)-F(4) bond length is 2.11 Å. Both Sn(1)-F(5) bond lengths are 2.16 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Sn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Sn(1) atoms.