BaSnF4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Sn(1) atom to form FBa3Sn tetrahedra that share corners with six equivalent F(2)BaSn3 tetrahedra, corners with ten equivalent F(1)Ba3Sn tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Sn(1) atoms to form FBaSn3 tetrahedra that share corners with six equivalent F(1)Ba3Sn tetrahedra, corners with ten equivalent F(2)BaSn3 tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra.
BaSnF4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. Both Ba(1)-F(2) bond lengths are 2.72 Å. All Ba(1)-F(1) bond lengths are 2.68 Å. Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. Both Sn(1)-F(1) bond lengths are 2.51 Å. All Sn(1)-F(2) bond lengths are 2.61 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Sn(1) atom to form FBa3Sn tetrahedra that share corners with six equivalent F(2)BaSn3 tetrahedra, corners with ten equivalent F(1)Ba3Sn tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Sn(1) atoms to form FBaSn3 tetrahedra that share corners with six equivalent F(1)Ba3Sn tetrahedra, corners with ten equivalent F(2)BaSn3 tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra.