BF4SF3 is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four BF4 clusters and four SF3 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(4), one F(5), and two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one B(1) atom. In each SF3 cluster, S(1) is bonded in a distorted T-shaped geometry to one F(3) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(1) atom.
BF4SF3 is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four BF4 clusters and four SF3 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(4), one F(5), and two equivalent F(1) atoms. The B(1)-F(4) bond length is 1.41 Å. The B(1)-F(5) bond length is 1.39 Å. Both B(1)-F(1) bond lengths are 1.41 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one B(1) atom. In each SF3 cluster, S(1) is bonded in a distorted T-shaped geometry to one F(3) and two equivalent F(2) atoms. The S(1)-F(3) bond length is 1.53 Å. Both S(1)-F(2) bond lengths are 1.54 Å. There are two inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(1) atom.