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Title: Materials Data on BiSeI by Materials Project

Abstract

BiSeI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSeI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent Se2- and two equivalent I1- atoms to form distorted edge-sharing BiSe3I2 square pyramids. There are one shorter (2.74 Å) and two longer (2.90 Å) Bi–Se bond lengths. Both Bi–I bond lengths are 3.24 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-23020
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; BiSeI; Bi-I-Se
OSTI Identifier:
1199171
DOI:
10.17188/1199171

Citation Formats

The Materials Project. Materials Data on BiSeI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199171.
The Materials Project. Materials Data on BiSeI by Materials Project. United States. doi:10.17188/1199171.
The Materials Project. 2020. "Materials Data on BiSeI by Materials Project". United States. doi:10.17188/1199171. https://www.osti.gov/servlets/purl/1199171. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199171,
title = {Materials Data on BiSeI by Materials Project},
author = {The Materials Project},
abstractNote = {BiSeI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSeI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent Se2- and two equivalent I1- atoms to form distorted edge-sharing BiSe3I2 square pyramids. There are one shorter (2.74 Å) and two longer (2.90 Å) Bi–Se bond lengths. Both Bi–I bond lengths are 3.24 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.},
doi = {10.17188/1199171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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