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Title: Materials Data on Ba3NaBiO6 by Materials Project

Abstract

NaBa3BiO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.53 Å. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.09 Å. Bi5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.17 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Bi5+ atom to form a mixture of distorted edge, face, and corner-sharing OBa4NaBi octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

Publication Date:
Other Number(s):
mp-556316
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; Ba3NaBiO6; Ba-Bi-Na-O
OSTI Identifier:
1269284
DOI:
10.17188/1269284

Citation Formats

The Materials Project. Materials Data on Ba3NaBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269284.
The Materials Project. Materials Data on Ba3NaBiO6 by Materials Project. United States. doi:10.17188/1269284.
The Materials Project. 2020. "Materials Data on Ba3NaBiO6 by Materials Project". United States. doi:10.17188/1269284. https://www.osti.gov/servlets/purl/1269284. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269284,
title = {Materials Data on Ba3NaBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaBa3BiO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.53 Å. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.09 Å. Bi5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.17 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Bi5+ atom to form a mixture of distorted edge, face, and corner-sharing OBa4NaBi octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},
doi = {10.17188/1269284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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