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Title: Materials Data on Na3MgC2BrO6 by Materials Project

Abstract

Na3MgC2O6Br crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.48 Å) and four longer (2.66 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.04 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom. Br1- is bonded in a 6-coordinate geometry to six equivalent Na1+ atoms.

Publication Date:
Other Number(s):
mp-646116
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; Na3MgC2BrO6; Br-C-Mg-Na-O
OSTI Identifier:
1280607
DOI:
https://doi.org/10.17188/1280607

Citation Formats

The Materials Project. Materials Data on Na3MgC2BrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280607.
The Materials Project. Materials Data on Na3MgC2BrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1280607
The Materials Project. 2020. "Materials Data on Na3MgC2BrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1280607. https://www.osti.gov/servlets/purl/1280607. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280607,
title = {Materials Data on Na3MgC2BrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3MgC2O6Br crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.48 Å) and four longer (2.66 Å) Na–O bond lengths. Both Na–Br bond lengths are 3.04 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom. Br1- is bonded in a 6-coordinate geometry to six equivalent Na1+ atoms.},
doi = {10.17188/1280607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}