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Title: Materials Data on NaNdS2 by Materials Project

Abstract

NaNdS2 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 NdS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–S bond lengths are 2.98 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–S bond lengths are 2.86 Å. S2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-999470
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; NaNdS2; Na-Nd-S
OSTI Identifier:
1317581
DOI:
https://doi.org/10.17188/1317581

Citation Formats

The Materials Project. Materials Data on NaNdS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317581.
The Materials Project. Materials Data on NaNdS2 by Materials Project. United States. doi:https://doi.org/10.17188/1317581
The Materials Project. 2020. "Materials Data on NaNdS2 by Materials Project". United States. doi:https://doi.org/10.17188/1317581. https://www.osti.gov/servlets/purl/1317581. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317581,
title = {Materials Data on NaNdS2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNdS2 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 NdS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–S bond lengths are 2.98 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–S bond lengths are 2.86 Å. S2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}