RbCuAlF6 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one F(2), one F(4), four equivalent F(1), and four equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent Al(1) atoms. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom.
RbCuAlF6 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 10-coordinate geometry to one F(2), one F(4), four equivalent F(1), and four equivalent F(3) atoms. The Rb(1)-F(2) bond length is 3.36 Å. The Rb(1)-F(4) bond length is 3.07 Å. There are two shorter (2.98 Å) and two longer (3.26 Å) Rb(1)-F(1) bond lengths. There are two shorter (2.98 Å) and two longer (3.11 Å) Rb(1)-F(3) bond lengths. Cu(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Both Cu(1)-F(1) bond lengths are 2.17 Å. Both Cu(1)-F(3) bond lengths are 2.13 Å. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu(1)-F(4) bond length. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. Both Al(1)-F(1) bond lengths are 1.81 Å. Both Al(1)-F(2) bond lengths are 1.85 Å. Both Al(1)-F(3) bond lengths are 1.82 Å. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Rb(1) and two equivalent Al(1) atoms. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one Al(1) atom.