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Title: Materials Data on Ba2Mg(BO2)6 by Materials Project

Abstract

Ba2Mg(B3O6)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.94 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.15 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Mg2+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-1019528
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; Ba2Mg(BO2)6; B-Ba-Mg-O
OSTI Identifier:
1350714
DOI:
10.17188/1350714

Citation Formats

The Materials Project. Materials Data on Ba2Mg(BO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350714.
The Materials Project. Materials Data on Ba2Mg(BO2)6 by Materials Project. United States. doi:10.17188/1350714.
The Materials Project. 2020. "Materials Data on Ba2Mg(BO2)6 by Materials Project". United States. doi:10.17188/1350714. https://www.osti.gov/servlets/purl/1350714. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350714,
title = {Materials Data on Ba2Mg(BO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Mg(B3O6)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.94 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.15 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Mg2+, and one B3+ atom.},
doi = {10.17188/1350714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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