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Title: Materials Data on Ba2NaOsO6 by Materials Project

Abstract

Ba2NaOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–O bond lengths are 2.29 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NaO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.98 Å. Os7+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent NaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Na1+, four equivalent Ba2+, and one Os7+ atom.

Authors:
Publication Date:
Other Number(s):
mp-22442
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; Ba2NaOsO6; Ba-Na-O-Os
OSTI Identifier:
1197651
DOI:
https://doi.org/10.17188/1197651

Citation Formats

The Materials Project. Materials Data on Ba2NaOsO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197651.
The Materials Project. Materials Data on Ba2NaOsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1197651
The Materials Project. 2020. "Materials Data on Ba2NaOsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1197651. https://www.osti.gov/servlets/purl/1197651. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197651,
title = {Materials Data on Ba2NaOsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2NaOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–O bond lengths are 2.29 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NaO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.98 Å. Os7+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent NaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Na1+, four equivalent Ba2+, and one Os7+ atom.},
doi = {10.17188/1197651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}