Materials Data on KNaCl2 by Materials Project
KNaCl2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent NaCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All K–Cl bond lengths are 3.13 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent KCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–Cl bond lengths are 2.91 Å. Cl1- is bonded to three equivalent K1+ and three equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClK3Na3 octahedra. The corner-sharing octahedral tilt angles are 0°.