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Title: Materials Data on NaNdSe2 by Materials Project

Abstract

NaNdSe2 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 NdSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.10 Å. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–Se bond lengths are 2.98 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SeNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-999471
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; NaNdSe2; Na-Nd-Se
OSTI Identifier:
1317582
DOI:
https://doi.org/10.17188/1317582

Citation Formats

The Materials Project. Materials Data on NaNdSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317582.
The Materials Project. Materials Data on NaNdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317582
The Materials Project. 2020. "Materials Data on NaNdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317582. https://www.osti.gov/servlets/purl/1317582. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1317582,
title = {Materials Data on NaNdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNdSe2 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 NdSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.10 Å. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–Se bond lengths are 2.98 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SeNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}