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Title: Materials Data on BiTe by Materials Project

Abstract

BiTe is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two BiTe sheets oriented in the (0, 0, 1) direction. there are three inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.11 Å) and three longer (3.28 Å) Bi–Te bond lengths. In the second Bi2+ site, Bi2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.09 Å) and three longer (3.29 Å) Bi–Te bond lengths. In the third Bi2+ site, Bi2+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 3.70 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi2+ atoms. In the second Te2- site, Te2- is bonded to six Bi2+ atoms to form a mixture of distorted edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°. Inmore » the third Te2- site, Te2- is bonded to six Bi2+ atoms to form a mixture of edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°.« less

Publication Date:
Other Number(s):
mp-23224
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; BiTe; Bi-Te
OSTI Identifier:
1199343
DOI:
https://doi.org/10.17188/1199343

Citation Formats

The Materials Project. Materials Data on BiTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199343.
The Materials Project. Materials Data on BiTe by Materials Project. United States. doi:https://doi.org/10.17188/1199343
The Materials Project. 2020. "Materials Data on BiTe by Materials Project". United States. doi:https://doi.org/10.17188/1199343. https://www.osti.gov/servlets/purl/1199343. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1199343,
title = {Materials Data on BiTe by Materials Project},
author = {The Materials Project},
abstractNote = {BiTe is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two BiTe sheets oriented in the (0, 0, 1) direction. there are three inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.11 Å) and three longer (3.28 Å) Bi–Te bond lengths. In the second Bi2+ site, Bi2+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.09 Å) and three longer (3.29 Å) Bi–Te bond lengths. In the third Bi2+ site, Bi2+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 3.70 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi2+ atoms. In the second Te2- site, Te2- is bonded to six Bi2+ atoms to form a mixture of distorted edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Te2- site, Te2- is bonded to six Bi2+ atoms to form a mixture of edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1199343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}