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Title: Materials Data on ZnH4(BrO)2 by Materials Project

Abstract

(ZnBr3)2Zn(H2O)6 crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two ZnBr3 clusters and two zinc hexahydrate molecules. In each ZnBr3 cluster, Zn2+ is bonded to four Br1- atoms to form edge-sharing ZnBr4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.48 Å) Zn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643060
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; ZnH4(BrO)2; Br-H-O-Zn
OSTI Identifier:
1280249
DOI:
10.17188/1280249

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZnH4(BrO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280249.
Persson, Kristin, & Project, Materials. Materials Data on ZnH4(BrO)2 by Materials Project. United States. doi:10.17188/1280249.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZnH4(BrO)2 by Materials Project". United States. doi:10.17188/1280249. https://www.osti.gov/servlets/purl/1280249. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280249,
title = {Materials Data on ZnH4(BrO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(ZnBr3)2Zn(H2O)6 crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two ZnBr3 clusters and two zinc hexahydrate molecules. In each ZnBr3 cluster, Zn2+ is bonded to four Br1- atoms to form edge-sharing ZnBr4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.48 Å) Zn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.},
doi = {10.17188/1280249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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