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DOE OSTI · 1751714

Materials Data on Zn(BH4)2 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEB-H-Zncrystal structureZn(BH4)2

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2020-05-09. Materials Data on Zn(BH4)2 by Materials Project. https://doi.org/10.17188/1751714

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36 MATERIALS SCIENCE↗