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Title: Materials Data on Ba2Cd(BO3)2 by Materials Project

Abstract

Ba2Cd(BO3)2 crystallizes in the monoclinic C2/m 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 2.80–3.01 Å. Cd2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.30 Å) and two longer (2.45 Å) Cd–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+, one Cd2+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-1102943
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(BO3)2; B-Ba-Cd-O
OSTI Identifier:
1722278
DOI:
https://doi.org/10.17188/1722278

Citation Formats

The Materials Project. Materials Data on Ba2Cd(BO3)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1722278.
The Materials Project. Materials Data on Ba2Cd(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722278
The Materials Project. 2018. "Materials Data on Ba2Cd(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722278. https://www.osti.gov/servlets/purl/1722278. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1722278,
title = {Materials Data on Ba2Cd(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Cd(BO3)2 crystallizes in the monoclinic C2/m 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 2.80–3.01 Å. Cd2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.30 Å) and two longer (2.45 Å) Cd–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+, one Cd2+, and one B3+ atom.},
doi = {10.17188/1722278},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}