K5Sc3F14 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 body-centered cubic geometry to eight equivalent F(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Sc site, Sc(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent K(2), one Sc(1), and one Sc(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(2) and one Sc(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Sc(2) atom.
K5Sc3F14 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 body-centered cubic geometry to eight equivalent F(3) atoms. All K(1)-F(3) bond lengths are 2.88 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. Both K(2)-F(1) bond lengths are 3.15 Å. Both K(2)-F(2) bond lengths are 2.93 Å. There are two shorter (2.57 Å) and two longer (2.58 Å) K(2)-F(3) bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Both Sc(1)-F(2) bond lengths are 2.01 Å. All Sc(1)-F(1) bond lengths are 2.03 Å. In the second Sc site, Sc(2) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Both Sc(2)-F(1) bond lengths are 2.06 Å. All Sc(2)-F(3) bond lengths are 2.01 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent K(2), one Sc(1), and one Sc(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(2) and one Sc(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Sc(2) atom.