KNaMg2F6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to four equivalent F(3) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, corners with eight equivalent Na(1)F12 cuboctahedra, faces with two equivalent Na(1)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Mg(1)F6 octahedra. Na(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form NaF12 cuboctahedra that share corners with four equivalent Na(1)F12 cuboctahedra, corners with eight equivalent K(1)F12 cuboctahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent Na(1)F12 cuboctahedra, and faces with eight equivalent Mg(1)F6 octahedra. Mg(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form MgF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Mg(1) atoms. In the second F site, F(2) is bonded in a linear geometry to four equivalent Na(1) and two equivalent Mg(1) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mg(1) atoms.
KNaMg2F6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to four equivalent F(3) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, corners with eight equivalent Na(1)F12 cuboctahedra, faces with two equivalent Na(1)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Mg(1)F6 octahedra. All K(1)-F(3) bond lengths are 2.83 Å. All K(1)-F(1) bond lengths are 2.87 Å. Na(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form NaF12 cuboctahedra that share corners with four equivalent Na(1)F12 cuboctahedra, corners with eight equivalent K(1)F12 cuboctahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent Na(1)F12 cuboctahedra, and faces with eight equivalent Mg(1)F6 octahedra. All Na(1)-F(2) bond lengths are 2.83 Å. All Na(1)-F(1) bond lengths are 2.79 Å. Mg(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form MgF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent Na(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(1)-F(2) bond length is 1.97 Å. The Mg(1)-F(3) bond length is 2.03 Å. All Mg(1)-F(1) bond lengths are 2.00 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Mg(1) atoms. In the second F site, F(2) is bonded in a linear geometry to four equivalent Na(1) and two equivalent Mg(1) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mg(1) atoms.