DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MgZn2H12(BrO)6 by Materials Project

Abstract

Mg(H2O)6(ZnBr3)2 crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two magnesium;hexahydrate molecules and two ZnBr3 clusters. In each ZnBr3 cluster, Zn2+ is bonded to four Br1- atoms to form edge-sharing ZnBr4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.49 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:
Publication Date:
Other Number(s):
mp-697121
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; MgZn2H12(BrO)6; Br-H-Mg-O-Zn
OSTI Identifier:
1285111
DOI:
https://doi.org/10.17188/1285111

Citation Formats

The Materials Project. Materials Data on MgZn2H12(BrO)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285111.
The Materials Project. Materials Data on MgZn2H12(BrO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1285111
The Materials Project. 2020. "Materials Data on MgZn2H12(BrO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1285111. https://www.osti.gov/servlets/purl/1285111. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1285111,
title = {Materials Data on MgZn2H12(BrO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(H2O)6(ZnBr3)2 crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two magnesium;hexahydrate molecules and two ZnBr3 clusters. In each ZnBr3 cluster, Zn2+ is bonded to four Br1- atoms to form edge-sharing ZnBr4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.49 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 = {10.17188/1285111},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}