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Title: Materials Data on Mg(BrO3)2 by Materials Project

Abstract

Mg(O3Br)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg(O3Br)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.05 Å) and four longer (2.15 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.67 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078861
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; Mg(BrO3)2; Br-Mg-O
OSTI Identifier:
1740988
DOI:
https://doi.org/10.17188/1740988

Citation Formats

The Materials Project. Materials Data on Mg(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740988.
The Materials Project. Materials Data on Mg(BrO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740988
The Materials Project. 2020. "Materials Data on Mg(BrO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740988. https://www.osti.gov/servlets/purl/1740988. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740988,
title = {Materials Data on Mg(BrO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(O3Br)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg(O3Br)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.05 Å) and four longer (2.15 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.67 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.},
doi = {10.17188/1740988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}