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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 one-dimensional and consists of two Mg(O3Br)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.99 Å) and four longer (2.18 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.29 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.76 Å. Br5+ is bonded in a single-bond geometry to one O2- atom.

Publication Date:
Other Number(s):
mp-1180407
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; Mg(BrO3)2; Br-Mg-O
OSTI Identifier:
1722354
DOI:
https://doi.org/10.17188/1722354

Citation Formats

The Materials Project. Materials Data on Mg(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722354.
The Materials Project. Materials Data on Mg(BrO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722354
The Materials Project. 2020. "Materials Data on Mg(BrO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722354. https://www.osti.gov/servlets/purl/1722354. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722354,
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 one-dimensional and consists of two Mg(O3Br)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.99 Å) and four longer (2.18 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.29 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.76 Å. Br5+ is bonded in a single-bond geometry to one O2- atom.},
doi = {10.17188/1722354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}