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Materials Data on RbNaH2 by Materials Project

NaRbH2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one natrium molecule and one RbH2 framework. In the RbH2 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 2.81 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 in a linear geometry to two equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗