Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent F(1) atoms to form LiO3F2 square pyramids that share corners with two equivalent Li(1)O3F2 square pyramids and corners with three equivalent Si(1)O4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O3F2 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Si(1) atom. F(1) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Sr(2) atoms to form distorted face-sharing FSr4Li2 octahedra.
Sr2LiSiO4F crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent F(1) atoms to form LiO3F2 square pyramids that share corners with two equivalent Li(1)O3F2 square pyramids and corners with three equivalent Si(1)O4 tetrahedra. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(1) bond lengths are 2.02 Å. Both Li(1)-F(1) bond lengths are 2.04 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms. The Sr(1)-O(3) bond length is 2.60 Å. There are two shorter (2.95 Å) and one longer (3.10 Å) Sr(1)-O(2) bond length. There are two shorter (2.64 Å) and two longer (2.72 Å) Sr(1)-O(1) bond lengths. Both Sr(1)-F(1) bond lengths are 2.78 Å. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms. The Sr(2)-O(2) bond length is 2.37 Å. There are two shorter (2.76 Å) and one longer (2.79 Å) Sr(2)-O(3) bond length. There are two shorter (2.86 Å) and two longer (2.91 Å) Sr(2)-O(1) bond lengths. Both Sr(2)-F(1) bond lengths are 2.63 Å. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O3F2 square pyramids. The Si(1)-O(2) bond length is 1.63 Å. The Si(1)-O(3) bond length is 1.65 Å. Both Si(1)-O(1) bond lengths are 1.65 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Si(1) atom. F(1) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Sr(2) atoms to form distorted face-sharing FSr4Li2 octahedra.