Ba3Sr4(BO3)3F5 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), four equivalent O(2), one F(1), and two equivalent F(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to six equivalent O(2), one F(2), and three equivalent F(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sr(1), two equivalent Sr(2), and one B(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second F site, F(2) is bonded to one Sr(1) and three equivalent Sr(2) atoms to form corner-sharing FSr4 tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Sr(2) atoms to form distorted FBa2Sr3 trigonal bipyramids that share corners with three equivalent F(2)Sr4 tetrahedra, corners with two equivalent F(3)Ba2Sr3 trigonal bipyramids, and edges with two equivalent F(3)Ba2Sr3 trigonal bipyramids.
Ba3Sr4(BO3)3F5 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), four equivalent O(2), one F(1), and two equivalent F(3) atoms. There is one shorter (2.72 Å) and two longer (2.97 Å) Ba(1)-O(1) bond lengths. There are two shorter (2.92 Å) and two longer (2.97 Å) Ba(1)-O(2) bond lengths. The Ba(1)-F(1) bond length is 2.77 Å. Both Ba(1)-F(3) bond lengths are 3.20 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to six equivalent O(2), one F(2), and three equivalent F(3) atoms. All Sr(1)-O(2) bond lengths are 2.89 Å. The Sr(1)-F(2) bond length is 2.49 Å. All Sr(1)-F(3) bond lengths are 2.43 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), one F(2), and two equivalent F(3) atoms. Both Sr(2)-O(1) bond lengths are 2.96 Å. There are two shorter (2.56 Å) and two longer (2.72 Å) Sr(2)-O(2) bond lengths. The Sr(2)-F(2) bond length is 2.55 Å. There is one shorter (2.43 Å) and one longer (2.46 Å) Sr(2)-F(3) bond length. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. The B(1)-O(1) bond length is 1.39 Å. Both B(1)-O(2) bond lengths are 1.39 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sr(1), two equivalent Sr(2), and one B(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second F site, F(2) is bonded to one Sr(1) and three equivalent Sr(2) atoms to form corner-sharing FSr4 tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Sr(2) atoms to form distorted FBa2Sr3 trigonal bipyramids that share corners with three equivalent F(2)Sr4 tetrahedra, corners with two equivalent F(3)Ba2Sr3 trigonal bipyramids, and edges with two equivalent F(3)Ba2Sr3 trigonal bipyramids.