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Title: Materials Data on NaCeS2 by Materials Project

Abstract

NaCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–S bond lengths are 2.98 Å. Ce3+ is bonded to six equivalent S2- atoms to form CeS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ce–S bond lengths are 2.85 Å. S2- is bonded to three equivalent Na1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing SNa3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1221073
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; NaCeS2; Ce-Na-S
OSTI Identifier:
1751425
DOI:
https://doi.org/10.17188/1751425

Citation Formats

The Materials Project. Materials Data on NaCeS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751425.
The Materials Project. Materials Data on NaCeS2 by Materials Project. United States. doi:https://doi.org/10.17188/1751425
The Materials Project. 2020. "Materials Data on NaCeS2 by Materials Project". United States. doi:https://doi.org/10.17188/1751425. https://www.osti.gov/servlets/purl/1751425. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751425,
title = {Materials Data on NaCeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–S bond lengths are 2.98 Å. Ce3+ is bonded to six equivalent S2- atoms to form CeS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ce–S bond lengths are 2.85 Å. S2- is bonded to three equivalent Na1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing SNa3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1751425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}