CsAgAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(3), and four equivalent F(4) atoms. Ag(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. Al(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Ag(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ag(1), and one Al(1) atom.
CsAgAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(3), and four equivalent F(4) atoms. The Cs(1)-F(2) bond length is 3.22 Å. Both Cs(1)-F(3) bond lengths are 3.21 Å. There are two shorter (3.13 Å) and two longer (3.16 Å) Cs(1)-F(4) bond lengths. Ag(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. Both Ag(1)-F(2) bond lengths are 2.08 Å. Both Ag(1)-F(3) bond lengths are 2.37 Å. Both Ag(1)-F(4) bond lengths are 2.34 Å. Al(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. Both Al(1)-F(1) bond lengths are 1.86 Å. Both Al(1)-F(3) bond lengths are 1.82 Å. Both Al(1)-F(4) bond lengths are 1.83 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Ag(1), and one Al(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ag(1), and one Al(1) atom.