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Title: Materials Data on CsNa2BO3 by Materials Project

Abstract

CsNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Cs–O bond lengths are 2.99 Å. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.52 Å. 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 four equivalent Na1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Na1+, and one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-8871
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsNa2BO3; B-Cs-Na-O
OSTI Identifier:
1312780
DOI:
https://doi.org/10.17188/1312780

Citation Formats

The Materials Project. Materials Data on CsNa2BO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312780.
The Materials Project. Materials Data on CsNa2BO3 by Materials Project. United States. doi:https://doi.org/10.17188/1312780
The Materials Project. 2020. "Materials Data on CsNa2BO3 by Materials Project". United States. doi:https://doi.org/10.17188/1312780. https://www.osti.gov/servlets/purl/1312780. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1312780,
title = {Materials Data on CsNa2BO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Cs–O bond lengths are 2.99 Å. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.52 Å. 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 four equivalent Na1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Na1+, and one B3+ atom.},
doi = {10.17188/1312780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}