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Title: Materials Data on Bi2Te3 by Materials Project

Abstract

Bi2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.29 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-34202
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; Bi2Te3; Bi-Te
OSTI Identifier:
1206742
DOI:
10.17188/1206742

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Bi2Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206742.
Persson, Kristin, & Project, Materials. Materials Data on Bi2Te3 by Materials Project. United States. doi:10.17188/1206742.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Bi2Te3 by Materials Project". United States. doi:10.17188/1206742. https://www.osti.gov/servlets/purl/1206742. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206742,
title = {Materials Data on Bi2Te3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Bi2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2Te3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.10 Å) and three longer (3.29 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi3+ atoms to form edge-sharing TeBi6 octahedra.},
doi = {10.17188/1206742},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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