MgAlO2F5 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MgO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 38°. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. O(1) is bonded in a single-bond geometry to one Mg(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms.
MgAlO2F5 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MgO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 38°. Both Mg(1)-O(1) bond lengths are 2.19 Å. All Mg(1)-F(1) bond lengths are 1.96 Å. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. Both Al(1)-F(2) bond lengths are 1.84 Å. All Al(1)-F(1) bond lengths are 1.83 Å. O(1) is bonded in a single-bond geometry to one Mg(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms.