Materials Data on Zn(BH4)2 by Materials Project

Zn(BH4)2 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Zn2+ is bonded in a 8-coordinate geometry to eight H+0.50+ atoms. There are four shorter (1.88 Å) and four longer (2.18 Å) Zn–H bond lengths. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There is two shorter (1.22 Å) and two longer (1.24 Å) B–H bond length. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Zn2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Zn2+ and one B3- atom.

二硼氢化锌（Zn(BH₄)₂）结晶于四方晶系I4₁22空间群，其晶体结构为三维结构。Zn²+以八配位几何构型与8个价态为+0.50的氢离子配位，Zn–H键存在两组键长：4条较短键长为1.88 Å，4条较长键长为2.18 Å。B³-以四面体几何构型与4个价态为+0.50的氢离子配位，B–H键同样存在两组键长：2条较短键长为1.22 Å，2条较长键长为1.24 Å。体系中存在两类不等价的H+0.50+位点：在第一类氢位点中，H+0.50+以单键配位构型分别与1个Zn²+和1个B³-原子成键；在第二类氢位点中，H+0.50+以L形配位构型分别与1个Zn²+和1个B³-原子成键。