Sr5(VO4)3F 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 7-coordinate geometry to one O(1), one O(2), four equivalent O(3), and one F(1) atom. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. V(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(1), two equivalent Sr(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(1) atoms.
Sr5(VO4)3F 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 7-coordinate geometry to one O(1), one O(2), four equivalent O(3), and one F(1) atom. The Sr(1)-O(1) bond length is 2.54 Å. The Sr(1)-O(2) bond length is 2.81 Å. There are two shorter (2.54 Å) and two longer (2.68 Å) Sr(1)-O(3) bond lengths. The Sr(1)-F(1) bond length is 2.48 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Sr(2)-O(1) bond lengths are 2.64 Å. All Sr(2)-O(2) bond lengths are 2.58 Å. All Sr(2)-O(3) bond lengths are 3.02 Å. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The V(1)-O(1) bond length is 1.75 Å. The V(1)-O(2) bond length is 1.75 Å. Both V(1)-O(3) bond lengths are 1.73 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(1) atoms.