Materials Data on K3NaH4 by Materials Project
NaK3H4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one sodium molecule and one K3H4 framework. In the K3H4 framework, K1+ is bonded to six H1- atoms to form a mixture of edge and corner-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.76 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six equivalent K1+ atoms to form corner-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second H1- site, H1- is bonded in a distorted square co-planar geometry to four equivalent K1+ atoms.
36 MATERIALS SCIENCE↗