NaSrTiF6 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form distorted NaF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-71°. Sr(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form TiF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the second F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sr(1), and one Ti(1) atom. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Na(1), one Sr(1), and one Ti(1) atom.
NaSrTiF6 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form distorted NaF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-71°. The Na(1)-F(2) bond length is 2.41 Å. The Na(1)-F(4) bond length is 2.37 Å. The Na(1)-F(5) bond length is 2.28 Å. The Na(1)-F(6) bond length is 2.35 Å. There is one shorter (2.28 Å) and one longer (2.43 Å) Na(1)-F(1) bond length. Sr(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. The Sr(1)-F(1) bond length is 2.74 Å. The Sr(1)-F(2) bond length is 2.40 Å. The Sr(1)-F(4) bond length is 2.42 Å. The Sr(1)-F(5) bond length is 2.49 Å. The Sr(1)-F(6) bond length is 2.52 Å. There is one shorter (2.53 Å) and one longer (2.62 Å) Sr(1)-F(3) bond length. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form TiF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Ti(1)-F(1) bond length is 2.02 Å. The Ti(1)-F(2) bond length is 2.01 Å. The Ti(1)-F(3) bond length is 2.05 Å. The Ti(1)-F(4) bond length is 2.01 Å. The Ti(1)-F(5) bond length is 1.95 Å. The Ti(1)-F(6) bond length is 1.96 Å. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the second F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sr(1), and one Ti(1) atom. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sr(1), and one Ti(1) atom. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Na(1), one Sr(1), and one Ti(1) atom.