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Title: Materials Data on BiTe3 by Materials Project

Abstract

BiTe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Bi5+ is bonded to six Te+1.67- atoms to form edge-sharing BiTe6 octahedra. There are three shorter (3.18 Å) and three longer (3.22 Å) Bi–Te bond lengths. There are three inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are three shorter (3.27 Å) and three longer (3.30 Å) Te–Te bond lengths. In the second Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to three equivalent Bi5+ and three equivalent Te+1.67- atoms. In the third Te+1.67- site, Te+1.67- is bonded to three equivalent Bi5+ and three equivalent Te+1.67- atoms to form distorted edge-sharing TeBi3Te3 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-35216
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; BiTe3; Bi-Te
OSTI Identifier:
1206960
DOI:
https://doi.org/10.17188/1206960

Citation Formats

The Materials Project. Materials Data on BiTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206960.
The Materials Project. Materials Data on BiTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1206960
The Materials Project. 2020. "Materials Data on BiTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1206960. https://www.osti.gov/servlets/purl/1206960. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1206960,
title = {Materials Data on BiTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiTe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Bi5+ is bonded to six Te+1.67- atoms to form edge-sharing BiTe6 octahedra. There are three shorter (3.18 Å) and three longer (3.22 Å) Bi–Te bond lengths. There are three inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are three shorter (3.27 Å) and three longer (3.30 Å) Te–Te bond lengths. In the second Te+1.67- site, Te+1.67- is bonded in a 6-coordinate geometry to three equivalent Bi5+ and three equivalent Te+1.67- atoms. In the third Te+1.67- site, Te+1.67- is bonded to three equivalent Bi5+ and three equivalent Te+1.67- atoms to form distorted edge-sharing TeBi3Te3 octahedra.},
doi = {10.17188/1206960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}