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Title: Materials Data on NaInSe2 by Materials Project

Abstract

NaInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–Se bond lengths are 3.05 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All In–Se bond lengths are 2.81 Å. Se2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeNa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1198389
Report Number(s):
mp-22473
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NaInSe2; In-Na-Se

Citation Formats

The Materials Project. Materials Data on NaInSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198389.
The Materials Project. Materials Data on NaInSe2 by Materials Project. United States. https://doi.org/10.17188/1198389
The Materials Project. 2020. "Materials Data on NaInSe2 by Materials Project". United States. https://doi.org/10.17188/1198389. https://www.osti.gov/servlets/purl/1198389.
@article{osti_1198389,
title = {Materials Data on NaInSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–Se bond lengths are 3.05 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All In–Se bond lengths are 2.81 Å. Se2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing SeNa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1198389},
url = {https://www.osti.gov/biblio/1198389}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}