DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Bi8Te9 by Materials Project

Abstract

Bi8Te9 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 and six BiTe sheets oriented in the (0, 0, 1) direction. In each Bi2Te3 sheet, Bi+2.25+ 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 (3.27 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 Bi+2.25+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi+2.25+ atoms to form edge-sharing TeBi6 octahedra. In each BiTe sheet, there are three inequivalent Bi+2.25+ sites. In the first Bi+2.25+ site, Bi+2.25+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 3.65 Å. In the second Bi+2.25+ site, Bi+2.25+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.11 Å) and three longer (3.28 Å) Bi–Te bondmore » lengths. In the third Bi+2.25+ site, Bi+2.25+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.10 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Bi+2.25+ atoms to form a mixture of distorted corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi+2.25+ atoms. In the third Te2- site, Te2- is bonded to six Bi+2.25+ atoms to form a mixture of corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°.« less

Authors:
Publication Date:
Other Number(s):
mp-580062
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; Bi8Te9; Bi-Te
OSTI Identifier:
1276750
DOI:
https://doi.org/10.17188/1276750

Citation Formats

The Materials Project. Materials Data on Bi8Te9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1276750.
The Materials Project. Materials Data on Bi8Te9 by Materials Project. United States. doi:https://doi.org/10.17188/1276750
The Materials Project. 2019. "Materials Data on Bi8Te9 by Materials Project". United States. doi:https://doi.org/10.17188/1276750. https://www.osti.gov/servlets/purl/1276750. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1276750,
title = {Materials Data on Bi8Te9 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi8Te9 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 and six BiTe sheets oriented in the (0, 0, 1) direction. In each Bi2Te3 sheet, Bi+2.25+ 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 (3.27 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 Bi+2.25+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Bi+2.25+ atoms to form edge-sharing TeBi6 octahedra. In each BiTe sheet, there are three inequivalent Bi+2.25+ sites. In the first Bi+2.25+ site, Bi+2.25+ is bonded in a 3-coordinate geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 3.65 Å. In the second Bi+2.25+ site, Bi+2.25+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.11 Å) and three longer (3.28 Å) Bi–Te bond lengths. In the third Bi+2.25+ site, Bi+2.25+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing BiTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.10 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Bi+2.25+ atoms to form a mixture of distorted corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi+2.25+ atoms. In the third Te2- site, Te2- is bonded to six Bi+2.25+ atoms to form a mixture of corner and edge-sharing TeBi6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1276750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}