K5Ti3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Ti site, Ti(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(2) atom. In the second F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent K(1), one Ti(1), and one Ti(2) atom. In the third F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom.
K5Ti3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. Both K(1)-F(2) bond lengths are 2.92 Å. Both K(1)-F(3) bond lengths are 3.10 Å. All K(1)-F(1) bond lengths are 2.56 Å. In the second K site, K(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All K(2)-F(1) bond lengths are 2.83 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. Both Ti(1)-F(3) bond lengths are 2.02 Å. All Ti(1)-F(1) bond lengths are 1.95 Å. In the second Ti site, Ti(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. Both Ti(2)-F(2) bond lengths are 1.94 Å. All Ti(2)-F(3) bond lengths are 2.01 Å. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(2) atom. In the second F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent K(1), one Ti(1), and one Ti(2) atom. In the third F site, F(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom.