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Title: Materials Data on NaCeS2O9 by Materials Project

Abstract

NaCeS2O9 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.92 Å. Ce is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.08–2.57 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ce atom. In the second O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one Ce, and one S atom.

Authors:
Publication Date:
Other Number(s):
mp-1203888
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; NaCeS2O9; Ce-Na-O-S
OSTI Identifier:
1678519
DOI:
https://doi.org/10.17188/1678519

Citation Formats

The Materials Project. Materials Data on NaCeS2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1678519.
The Materials Project. Materials Data on NaCeS2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1678519
The Materials Project. 2019. "Materials Data on NaCeS2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1678519. https://www.osti.gov/servlets/purl/1678519. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1678519,
title = {Materials Data on NaCeS2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCeS2O9 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.92 Å. Ce is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.08–2.57 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ce atom. In the second O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Na, one Ce, and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one Ce, and one S atom.},
doi = {10.17188/1678519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}