K3ReClF6 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent F(2), and six equivalent F(1) atoms. In the second K site, K(2) is bonded to two equivalent Cl(1) and four equivalent F(2) atoms to form KCl2F4 octahedra that share corners with four equivalent Re(1)F6 octahedra and corners with six equivalent K(2)Cl2F4 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. Re(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ReF6 octahedra that share corners with four equivalent K(2)Cl2F4 octahedra. The corner-sharing octahedral tilt angles are 72°. Cl(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing ClK6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Re(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Re(1) atom.
K3ReClF6 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent F(2), and six equivalent F(1) atoms. Both K(1)-Cl(1) bond lengths are 3.08 Å. Both K(1)-F(2) bond lengths are 3.05 Å. There are two shorter (2.88 Å) and four longer (3.03 Å) K(1)-F(1) bond lengths. In the second K site, K(2) is bonded to two equivalent Cl(1) and four equivalent F(2) atoms to form KCl2F4 octahedra that share corners with four equivalent Re(1)F6 octahedra and corners with six equivalent K(2)Cl2F4 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. Both K(2)-Cl(1) bond lengths are 3.05 Å. All K(2)-F(2) bond lengths are 3.14 Å. Re(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ReF6 octahedra that share corners with four equivalent K(2)Cl2F4 octahedra. The corner-sharing octahedral tilt angles are 72°. Both Re(1)-F(2) bond lengths are 1.99 Å. All Re(1)-F(1) bond lengths are 1.99 Å. Cl(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing ClK6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Re(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Re(1) atom.