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Title: Materials Data on Bi2Sb2Te3 by Materials Project

Abstract

(BiSb)2Te3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Bi3+ and three equivalent Te2- atoms to form distorted BiBi3Te3 octahedra that share corners with three equivalent SbTe6 octahedra, corners with three equivalent TeBi3Sb3 octahedra, edges with three equivalent SbTe6 octahedra, edges with three equivalent TeBi3Sb3 octahedra, and edges with six equivalent BiBi3Te3 octahedra. The corner-sharing octahedral tilt angles are 10°. All Bi–Bi bond lengths are 3.08 Å. All Bi–Te bond lengths are 3.52 Å. Sb is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent BiBi3Te3 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent BiBi3Te3 octahedra, and edges with nine equivalent SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are three shorter (3.06 Å) and three longer (3.21 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Bi3+ and three equivalent Sb atoms to form TeBi3Sb3 octahedra that share corners with three equivalent BiBi3Te3 octahedra, corners with three equivalent TeSb6 octahedra, edges with three equivalent BiBi3Te3 octahedra, and edges with nine TeBi3Sb3 octahedra.more » The corner-sharing octahedra tilt angles range from 4–10°. In the second Te2- site, Te2- is bonded to six equivalent Sb atoms to form a mixture of edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.« less

Authors:
Publication Date:
Other Number(s):
mp-1227407
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; Bi2Sb2Te3; Bi-Sb-Te
OSTI Identifier:
1738736
DOI:
https://doi.org/10.17188/1738736

Citation Formats

The Materials Project. Materials Data on Bi2Sb2Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738736.
The Materials Project. Materials Data on Bi2Sb2Te3 by Materials Project. United States. doi:https://doi.org/10.17188/1738736
The Materials Project. 2020. "Materials Data on Bi2Sb2Te3 by Materials Project". United States. doi:https://doi.org/10.17188/1738736. https://www.osti.gov/servlets/purl/1738736. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738736,
title = {Materials Data on Bi2Sb2Te3 by Materials Project},
author = {The Materials Project},
abstractNote = {(BiSb)2Te3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Bi3+ and three equivalent Te2- atoms to form distorted BiBi3Te3 octahedra that share corners with three equivalent SbTe6 octahedra, corners with three equivalent TeBi3Sb3 octahedra, edges with three equivalent SbTe6 octahedra, edges with three equivalent TeBi3Sb3 octahedra, and edges with six equivalent BiBi3Te3 octahedra. The corner-sharing octahedral tilt angles are 10°. All Bi–Bi bond lengths are 3.08 Å. All Bi–Te bond lengths are 3.52 Å. Sb is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent BiBi3Te3 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent BiBi3Te3 octahedra, and edges with nine equivalent SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are three shorter (3.06 Å) and three longer (3.21 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Bi3+ and three equivalent Sb atoms to form TeBi3Sb3 octahedra that share corners with three equivalent BiBi3Te3 octahedra, corners with three equivalent TeSb6 octahedra, edges with three equivalent BiBi3Te3 octahedra, and edges with nine TeBi3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 4–10°. In the second Te2- site, Te2- is bonded to six equivalent Sb atoms to form a mixture of edge and corner-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1738736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}