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Title: Materials Data on Bi2TeI by Materials Project

Abstract

Bi2TeI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four bismuth molecules and two BiTeI sheets oriented in the (0, 0, 1) direction. In each BiTeI sheet, Bi+1.50+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. There are two shorter (3.07 Å) and one longer (3.08 Å) Bi–Te bond lengths. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms. I1- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23435
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; Bi2TeI; Bi-I-Te
OSTI Identifier:
1199509
DOI:
https://doi.org/10.17188/1199509

Citation Formats

The Materials Project. Materials Data on Bi2TeI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199509.
The Materials Project. Materials Data on Bi2TeI by Materials Project. United States. doi:https://doi.org/10.17188/1199509
The Materials Project. 2020. "Materials Data on Bi2TeI by Materials Project". United States. doi:https://doi.org/10.17188/1199509. https://www.osti.gov/servlets/purl/1199509. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199509,
title = {Materials Data on Bi2TeI by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2TeI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four bismuth molecules and two BiTeI sheets oriented in the (0, 0, 1) direction. In each BiTeI sheet, Bi+1.50+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. There are two shorter (3.07 Å) and one longer (3.08 Å) Bi–Te bond lengths. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms. I1- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms.},
doi = {10.17188/1199509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}