Materials Data on Rb3NaH4 by Materials Project
NaRb3H4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one sodium molecule and one Rb3H4 framework. In the Rb3H4 framework, Rb1+ is bonded to six H1- atoms to form a mixture of edge and corner-sharing RbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–H bond lengths are 2.92 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In the second H1- site, H1- is bonded to six equivalent Rb1+ atoms to form corner-sharing HRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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