K3Al3OF12 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(4), one F(5), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 11-coordinate geometry to one O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the second Al site, Al(2) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 34°. O(1) is bonded in a single-bond geometry to one K(2) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Al(2) atom. In the second F site, F(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(2), one Al(1), and one Al(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms.
K3Al3OF12 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(4), one F(5), and four equivalent F(2) atoms. The K(1)-F(4) bond length is 2.57 Å. The K(1)-F(5) bond length is 2.78 Å. There are two shorter (2.62 Å) and two longer (2.72 Å) K(1)-F(2) bond lengths. In the second K site, K(2) is bonded in a 11-coordinate geometry to one O(1), two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. The K(2)-O(1) bond length is 2.97 Å. Both K(2)-F(3) bond lengths are 3.06 Å. All K(2)-F(1) bond lengths are 2.99 Å. All K(2)-F(2) bond lengths are 3.10 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. Both Al(1)-F(1) bond lengths are 1.86 Å. Both Al(1)-F(2) bond lengths are 1.78 Å. Both Al(1)-F(3) bond lengths are 1.88 Å. In the second Al site, Al(2) is bonded to one F(4), one F(5), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 34°. The Al(2)-F(4) bond length is 1.77 Å. The Al(2)-F(5) bond length is 1.78 Å. All Al(2)-F(1) bond lengths are 1.87 Å. O(1) is bonded in a single-bond geometry to one K(2) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Al(2) atom. In the second F site, F(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Al(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one K(2), one Al(1), and one Al(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms.