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Title: Materials Data on NaPrTe2 by Materials Project

Abstract

NaPrTe2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Na–Te bond lengths are 3.29 Å. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pr–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing TeNa3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-11151
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; NaPrTe2; Na-Pr-Te
OSTI Identifier:
1187596
DOI:
https://doi.org/10.17188/1187596

Citation Formats

The Materials Project. Materials Data on NaPrTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187596.
The Materials Project. Materials Data on NaPrTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1187596
The Materials Project. 2020. "Materials Data on NaPrTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1187596. https://www.osti.gov/servlets/purl/1187596. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1187596,
title = {Materials Data on NaPrTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPrTe2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Na–Te bond lengths are 3.29 Å. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pr–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing TeNa3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}