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Title: Materials Data on ZnBr2 by Materials Project

Abstract

ZnBr2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnBr2 frameworks. Zn2+ is bonded to four Br1- atoms to form corner-sharing ZnBr4 tetrahedra. There are a spread of Zn–Br bond distances ranging from 2.44–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-647579
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZnBr2; Br-Zn
OSTI Identifier:
1280728
DOI:
https://doi.org/10.17188/1280728

Citation Formats

The Materials Project. Materials Data on ZnBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280728.
The Materials Project. Materials Data on ZnBr2 by Materials Project. United States. doi:https://doi.org/10.17188/1280728
The Materials Project. 2020. "Materials Data on ZnBr2 by Materials Project". United States. doi:https://doi.org/10.17188/1280728. https://www.osti.gov/servlets/purl/1280728. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280728,
title = {Materials Data on ZnBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnBr2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnBr2 frameworks. Zn2+ is bonded to four Br1- atoms to form corner-sharing ZnBr4 tetrahedra. There are a spread of Zn–Br bond distances ranging from 2.44–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms.},
doi = {10.17188/1280728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}