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Title: Materials Data on Ba2Cd(BO2)6 by Materials Project

Abstract

Ba2Cd(BO2)6 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 2.83–3.00 Å. Cd2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.37 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 distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-1190588
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; Ba2Cd(BO2)6; B-Ba-Cd-O
OSTI Identifier:
1655373
DOI:
https://doi.org/10.17188/1655373

Citation Formats

The Materials Project. Materials Data on Ba2Cd(BO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655373.
The Materials Project. Materials Data on Ba2Cd(BO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1655373
The Materials Project. 2020. "Materials Data on Ba2Cd(BO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1655373. https://www.osti.gov/servlets/purl/1655373. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1655373,
title = {Materials Data on Ba2Cd(BO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Cd(BO2)6 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 2.83–3.00 Å. Cd2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cd–O bond lengths are 2.37 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 distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one B3+ atom.},
doi = {10.17188/1655373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}