Sr3AlO4F crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to six equivalent O(1) and two equivalent F(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted q6 geometry to eight equivalent O(1) and two equivalent F(1) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Al(1) atom. F(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing FSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°.
Sr3AlO4F crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to six equivalent O(1) and two equivalent F(1) atoms. There are two shorter (2.47 Å) and four longer (2.71 Å) Sr(1)-O(1) bond lengths. Both Sr(1)-F(1) bond lengths are 2.54 Å. In the second Sr site, Sr(2) is bonded in a distorted q6 geometry to eight equivalent O(1) and two equivalent F(1) atoms. All Sr(2)-O(1) bond lengths are 2.87 Å. Both Sr(2)-F(1) bond lengths are 2.82 Å. Al(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Al(1)-O(1) bond lengths are 1.79 Å. O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Al(1) atom. F(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing FSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°.