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Title: Materials Data on BiTeI by Materials Project

Abstract

BiTeI is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. All Bi–Te bond lengths are 3.07 Å. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent I1- atoms. All Te–I bond lengths are 4.41 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.

Publication Date:
Other Number(s):
mp-22965
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; BiTeI; Bi-I-Te
OSTI Identifier:
1199121
DOI:
10.17188/1199121

Citation Formats

The Materials Project. Materials Data on BiTeI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199121.
The Materials Project. Materials Data on BiTeI by Materials Project. United States. doi:10.17188/1199121.
The Materials Project. 2020. "Materials Data on BiTeI by Materials Project". United States. doi:10.17188/1199121. https://www.osti.gov/servlets/purl/1199121. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199121,
title = {Materials Data on BiTeI by Materials Project},
author = {The Materials Project},
abstractNote = {BiTeI is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. All Bi–Te bond lengths are 3.07 Å. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent I1- atoms. All Te–I bond lengths are 4.41 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.},
doi = {10.17188/1199121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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