Cs2SbF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(4), and four equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to two equivalent F(3), two equivalent F(4), three equivalent F(1), and four equivalent F(2) atoms. Sb(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Sb(1) atoms. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom.
Cs2SbF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(4), and four equivalent F(2) atoms. There is one shorter (2.96 Å) and one longer (3.22 Å) Cs(1)-F(1) bond length. Both Cs(1)-F(3) bond lengths are 3.36 Å. Both Cs(1)-F(4) bond lengths are 3.38 Å. There are two shorter (3.12 Å) and two longer (3.51 Å) Cs(1)-F(2) bond lengths. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to two equivalent F(3), two equivalent F(4), three equivalent F(1), and four equivalent F(2) atoms. Both Cs(2)-F(3) bond lengths are 3.51 Å. There is one shorter (3.04 Å) and one longer (3.58 Å) Cs(2)-F(4) bond length. There are two shorter (3.36 Å) and one longer (3.64 Å) Cs(2)-F(1) bond length. There are two shorter (3.26 Å) and two longer (3.34 Å) Cs(2)-F(2) bond lengths. Sb(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedra are not tilted. The Sb(1)-F(1) bond length is 2.30 Å. The Sb(1)-F(4) bond length is 2.11 Å. Both Sb(1)-F(2) bond lengths are 2.10 Å. Both Sb(1)-F(3) bond lengths are 2.38 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Sb(1) atoms. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom.