KNaTiH2O3F4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), one F(2), one F(3), and one F(4) atom. Na(1) is bonded in a 8-coordinate geometry to two equivalent H(2), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. Ti(1) is bonded to one O(2), one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form distorted edge-sharing TiOF5 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one H(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one O(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Na(1), one Ti(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one O(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Ti(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Na(1), and one Ti(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), two equivalent Na(1), and one Ti(1) atom.
KNaTiH2O3F4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), one F(2), one F(3), and one F(4) atom. The K(1)-O(2) bond length is 2.83 Å. There is one shorter (2.89 Å) and one longer (2.91 Å) K(1)-O(1) bond length. There is one shorter (2.74 Å) and one longer (3.29 Å) K(1)-O(3) bond length. The K(1)-F(2) bond length is 2.75 Å. The K(1)-F(3) bond length is 3.09 Å. The K(1)-F(4) bond length is 3.15 Å. Na(1) is bonded in a 8-coordinate geometry to two equivalent H(2), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. There is one shorter (2.39 Å) and one longer (2.42 Å) Na(1)-H(2) bond length. The Na(1)-O(2) bond length is 2.79 Å. The Na(1)-F(1) bond length is 2.44 Å. The Na(1)-F(2) bond length is 2.50 Å. The Na(1)-F(3) bond length is 2.31 Å. There is one shorter (2.48 Å) and one longer (2.50 Å) Na(1)-F(4) bond length. Ti(1) is bonded to one O(2), one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form distorted edge-sharing TiOF5 octahedra. The Ti(1)-O(2) bond length is 1.74 Å. The Ti(1)-F(2) bond length is 1.89 Å. The Ti(1)-F(3) bond length is 1.90 Å. The Ti(1)-F(4) bond length is 1.93 Å. There is one shorter (2.00 Å) and one longer (2.23 Å) Ti(1)-F(1) bond length. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. The H(1)-O(1) bond length is 1.27 Å. The H(1)-O(2) bond length is 1.16 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one H(2) atom. The H(2)-H(2) bond length is 0.75 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one O(3) atom. The O(1)-O(3) bond length is 1.34 Å. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Na(1), one Ti(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one O(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Ti(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Na(1), and one Ti(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), two equivalent Na(1), and one Ti(1) atom.