CsMgAlF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. Mg(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Al(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-74°. Al(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-73°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1) and 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 Mg(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Al(1) atom.
CsMgAlF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. The Cs(1)-F(1) bond length is 3.31 Å. The Cs(1)-F(2) bond length is 3.03 Å. All Cs(1)-F(3) bond lengths are 3.18 Å. Mg(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Al(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-74°. Both Mg(1)-F(2) bond lengths are 1.98 Å. All Mg(1)-F(3) bond lengths are 2.03 Å. Al(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-73°. Both Al(1)-F(1) bond lengths are 1.87 Å. All Al(1)-F(3) bond lengths are 1.82 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1) and 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 Mg(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Al(1) atom.