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Title: Materials Data on TbNaSe2 by Materials Project

Abstract

NaTbSe2 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 TbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-999127
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; TbNaSe2; Na-Se-Tb
OSTI Identifier:
1317480
DOI:
https://doi.org/10.17188/1317480

Citation Formats

The Materials Project. Materials Data on TbNaSe2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1317480.
The Materials Project. Materials Data on TbNaSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317480
The Materials Project. 2017. "Materials Data on TbNaSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317480. https://www.osti.gov/servlets/purl/1317480. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1317480,
title = {Materials Data on TbNaSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTbSe2 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 TbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}