CsB(CF4)2 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 12-coordinate geometry to one F(1), one F(5), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), and two equivalent F(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(5), and two equivalent F(2) atoms to form corner-sharing CBF3 tetrahedra. In the second C site, C(2) is bonded to one B(1), one F(1), and two equivalent F(4) atoms to form corner-sharing CBF3 tetrahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom.
CsB(CF4)2 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 12-coordinate geometry to one F(1), one F(5), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. The Cs(1)-F(1) bond length is 3.30 Å. The Cs(1)-F(5) bond length is 3.38 Å. Both Cs(1)-F(2) bond lengths are 3.38 Å. There are two shorter (3.07 Å) and two longer (3.23 Å) Cs(1)-F(3) bond lengths. There are two shorter (3.42 Å) and two longer (3.43 Å) Cs(1)-F(4) bond lengths. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), and two equivalent F(3) atoms. The B(1)-C(1) bond length is 1.65 Å. The B(1)-C(2) bond length is 1.67 Å. Both B(1)-F(3) bond lengths are 1.42 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(5), and two equivalent F(2) atoms to form corner-sharing CBF3 tetrahedra. The C(1)-F(5) bond length is 1.39 Å. Both C(1)-F(2) bond lengths are 1.38 Å. In the second C site, C(2) is bonded to one B(1), one F(1), and two equivalent F(4) atoms to form corner-sharing CBF3 tetrahedra. The C(2)-F(1) bond length is 1.38 Å. Both C(2)-F(4) bond lengths are 1.39 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom.