Rb2KZrOF5 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4mm space group. Rb(1) is bonded to two equivalent O(1), two equivalent F(2), and eight equivalent F(1) atoms to form RbO2F10 cuboctahedra that share corners with twelve equivalent Rb(1)O2F10 cuboctahedra, faces with six equivalent Rb(1)O2F10 cuboctahedra, faces with four equivalent K(1)OF5 octahedra, and faces with four equivalent Zr(1)OF5 octahedra. K(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form KOF5 octahedra that share corners with six equivalent Zr(1)OF5 octahedra and faces with eight equivalent Rb(1)O2F10 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. Zr(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form ZrOF5 octahedra that share corners with six equivalent K(1)OF5 octahedra and faces with eight equivalent Rb(1)O2F10 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. O(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom.
Rb2KZrOF5 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4mm space group. Rb(1) is bonded to two equivalent O(1), two equivalent F(2), and eight equivalent F(1) atoms to form RbO2F10 cuboctahedra that share corners with twelve equivalent Rb(1)O2F10 cuboctahedra, faces with six equivalent Rb(1)O2F10 cuboctahedra, faces with four equivalent K(1)OF5 octahedra, and faces with four equivalent Zr(1)OF5 octahedra. Both Rb(1)-O(1) bond lengths are 3.30 Å. Both Rb(1)-F(2) bond lengths are 3.29 Å. There are four shorter (3.25 Å) and four longer (3.37 Å) Rb(1)-F(1) bond lengths. K(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form KOF5 octahedra that share corners with six equivalent Zr(1)OF5 octahedra and faces with eight equivalent Rb(1)O2F10 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. The K(1)-O(1) bond length is 2.61 Å. The K(1)-F(2) bond length is 2.64 Å. All K(1)-F(1) bond lengths are 2.56 Å. Zr(1) is bonded to one O(1), one F(2), and four equivalent F(1) atoms to form ZrOF5 octahedra that share corners with six equivalent K(1)OF5 octahedra and faces with eight equivalent Rb(1)O2F10 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. The Zr(1)-O(1) bond length is 1.89 Å. The Zr(1)-F(2) bond length is 2.25 Å. All Zr(1)-F(1) bond lengths are 2.09 Å. O(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Zr(1) atom.