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Title: Materials Data on NaYbSe2 by Materials Project

Abstract

NaYbSe2 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 YbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Yb–Se bond lengths are 2.92 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing SeNa3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-10988
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; NaYbSe2; Na-Se-Yb
OSTI Identifier:
1187498
DOI:
https://doi.org/10.17188/1187498

Citation Formats

The Materials Project. Materials Data on NaYbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187498.
The Materials Project. Materials Data on NaYbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1187498
The Materials Project. 2020. "Materials Data on NaYbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1187498. https://www.osti.gov/servlets/purl/1187498. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187498,
title = {Materials Data on NaYbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaYbSe2 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 YbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Yb–Se bond lengths are 2.92 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing SeNa3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}