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Title: Materials Data on BiSBr by Materials Project

Abstract

BiSBr crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSBr ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent Br1- atoms to form distorted edge-sharing BiS3Br2 square pyramids. There are one shorter (2.62 Å) and two longer (2.76 Å) Bi–S bond lengths. Both Bi–Br bond lengths are 3.04 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-23324
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; BiSBr; Bi-Br-S
OSTI Identifier:
1199429
DOI:
https://doi.org/10.17188/1199429

Citation Formats

The Materials Project. Materials Data on BiSBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199429.
The Materials Project. Materials Data on BiSBr by Materials Project. United States. doi:https://doi.org/10.17188/1199429
The Materials Project. 2020. "Materials Data on BiSBr by Materials Project". United States. doi:https://doi.org/10.17188/1199429. https://www.osti.gov/servlets/purl/1199429. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199429,
title = {Materials Data on BiSBr by Materials Project},
author = {The Materials Project},
abstractNote = {BiSBr crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSBr ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent Br1- atoms to form distorted edge-sharing BiS3Br2 square pyramids. There are one shorter (2.62 Å) and two longer (2.76 Å) Bi–S bond lengths. Both Bi–Br bond lengths are 3.04 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.},
doi = {10.17188/1199429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}