Materials Data on Na2ZnH3Cl4 by Materials Project

(Na2ZnCl4)2(H2)3 crystallizes in the trigonal P31m space group. The structure is two-dimensional and consists of three hydrogen molecules and one Na2ZnCl4 sheet oriented in the (0, 0, 1) direction. In the Na2ZnCl4 sheet, Na is bonded in a trigonal non-coplanar geometry to three equivalent Cl atoms. All Na–Cl bond lengths are 2.65 Å. Zn is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.22 Å) and three longer (2.33 Å) Zn–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Zn atom. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Zn atom.