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Title: Materials Data on NaInO2 by Materials Project

Abstract

NaInO2 is Caswellsilverite structured and crystallizes in the trigonal R-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 InO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.47 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All In–O bond lengths are 2.24 Å. O2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing ONa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5175
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; NaInO2; In-Na-O
OSTI Identifier:
1263127
DOI:
10.17188/1263127

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaInO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263127.
Persson, Kristin, & Project, Materials. Materials Data on NaInO2 by Materials Project. United States. doi:10.17188/1263127.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaInO2 by Materials Project". United States. doi:10.17188/1263127. https://www.osti.gov/servlets/purl/1263127. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263127,
title = {Materials Data on NaInO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaInO2 is Caswellsilverite structured and crystallizes in the trigonal R-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 InO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.47 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All In–O bond lengths are 2.24 Å. O2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing ONa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1263127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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