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Title: Materials Data on Zn(BH4)2 by Materials Project

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.

Authors:
Publication Date:
Other Number(s):
mp-1191586
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn(BH4)2; B-H-Zn
OSTI Identifier:
1751714
DOI:
https://doi.org/10.17188/1751714

Citation Formats

The Materials Project. Materials Data on Zn(BH4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751714.
The Materials Project. Materials Data on Zn(BH4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1751714
The Materials Project. 2020. "Materials Data on Zn(BH4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1751714. https://www.osti.gov/servlets/purl/1751714. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1751714,
title = {Materials Data on Zn(BH4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1751714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}