Materials Data on CsH5N2 by Materials Project
CsNH2NH3 is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four CsNH2 clusters. In each CsNH2 cluster, Cs1+ is bonded in a 1-coordinate geometry to one H1+ atom. The Cs–H bond length is 3.04 Å. N3- is bonded in a water-like geometry to two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
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