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Title: Materials Data on NaTe by Materials Project

Abstract

NaTe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.08–3.59 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.16–3.74 Å. In the third Na1+ site, Na1+ is bonded to six Te1- atoms to form a mixture of distorted face and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are a spread of Na–Te bond distances ranging from 3.16–3.44 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Te1- atoms. There are one shorter (2.89 Å) and one longer (3.49 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to six Na1+ atoms. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to five Na1+ and two equivalent Te1- atoms. In the fourth Te1- site, Te1- ismore » bonded in a 8-coordinate geometry to eight Na1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28353
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; NaTe; Na-Te
OSTI Identifier:
1202472
DOI:
https://doi.org/10.17188/1202472

Citation Formats

The Materials Project. Materials Data on NaTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202472.
The Materials Project. Materials Data on NaTe by Materials Project. United States. doi:https://doi.org/10.17188/1202472
The Materials Project. 2020. "Materials Data on NaTe by Materials Project". United States. doi:https://doi.org/10.17188/1202472. https://www.osti.gov/servlets/purl/1202472. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1202472,
title = {Materials Data on NaTe by Materials Project},
author = {The Materials Project},
abstractNote = {NaTe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.08–3.59 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.16–3.74 Å. In the third Na1+ site, Na1+ is bonded to six Te1- atoms to form a mixture of distorted face and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are a spread of Na–Te bond distances ranging from 3.16–3.44 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Te1- atoms. There are one shorter (2.89 Å) and one longer (3.49 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to six Na1+ atoms. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to five Na1+ and two equivalent Te1- atoms. In the fourth Te1- site, Te1- is bonded in a 8-coordinate geometry to eight Na1+ atoms.},
doi = {10.17188/1202472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}