Sr5(PO4)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 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 7-coordinate geometry to one O(1), one O(3), four equivalent O(2), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(2) atoms.
Sr5(PO4)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 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 2.60 Å. All Sr(1)-O(2) bond lengths are 2.94 Å. All Sr(1)-O(3) bond lengths are 2.59 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), four equivalent O(2), and one F(1) atom. The Sr(2)-O(1) bond length is 2.52 Å. The Sr(2)-O(3) bond length is 2.80 Å. There are two shorter (2.56 Å) and two longer (2.66 Å) Sr(2)-O(2) bond lengths. The Sr(2)-F(1) bond length is 2.44 Å. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. Both P(1)-O(2) bond lengths are 1.56 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one P(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Sr(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Sr(2) atoms.