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Title: Materials Data on NaCa3IrO6 by Materials Project

Abstract

NaCa3IrO6 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 2.36 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.79 Å. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.00 Å. O2- is bonded in a 6-coordinate geometry to one Na1+, four equivalent Ca2+, and one Ir5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-14563
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; NaCa3IrO6; Ca-Ir-Na-O
OSTI Identifier:
1190730
DOI:
https://doi.org/10.17188/1190730

Citation Formats

The Materials Project. Materials Data on NaCa3IrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190730.
The Materials Project. Materials Data on NaCa3IrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1190730
The Materials Project. 2020. "Materials Data on NaCa3IrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1190730. https://www.osti.gov/servlets/purl/1190730. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1190730,
title = {Materials Data on NaCa3IrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCa3IrO6 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 2.36 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.79 Å. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.00 Å. O2- is bonded in a 6-coordinate geometry to one Na1+, four equivalent Ca2+, and one Ir5+ atom.},
doi = {10.17188/1190730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}