Sr5Cr3O12F crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent F(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. F(1) is bonded to six equivalent Sr(2) atoms to form face-sharing FSr6 octahedra.
Sr5Cr3O12F crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Sr(1)-O(1) bond lengths are 2.53 Å. All Sr(1)-O(2) bond lengths are 2.58 Å. All Sr(1)-O(3) bond lengths are 2.90 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent F(1) atoms. The Sr(2)-O(1) bond length is 2.73 Å. The Sr(2)-O(2) bond length is 2.51 Å. There are two shorter (2.49 Å) and two longer (2.63 Å) Sr(2)-O(3) bond lengths. Both Sr(2)-F(1) bond lengths are 2.94 Å. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Cr(1)-O(1) bond length is 1.69 Å. The Cr(1)-O(2) bond length is 1.70 Å. Both Cr(1)-O(3) bond lengths are 1.69 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Cr(1) atom. F(1) is bonded to six equivalent Sr(2) atoms to form face-sharing FSr6 octahedra.