AlF3 crystallizes in the triclinic P1 space group. Al(1,2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Al(1,2) atoms. In the sixth F site, F(6) is bonded in a water-like geometry to two equivalent Al(1,2) atoms.
AlF3 crystallizes in the triclinic P1 space group. Al(1,2) is bonded to one F(1), one F(2), one F(5), one F(6), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Al(1,2)-F(1) bond length is 1.81 Å. The Al(1,2)-F(2) bond length is 1.80 Å. The Al(1,2)-F(5) bond length is 1.85 Å. The Al(1,2)-F(6) bond length is 1.84 Å. Both Al(1,2)-F(4) bond lengths are 1.82 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1,2) atoms. Both F(3)-Al(1,2) bond lengths are 1.82 Å. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Al(1,2) atoms. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Al(1,2) atoms. In the sixth F site, F(6) is bonded in a water-like geometry to two equivalent Al(1,2) atoms.