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Title: Materials Data on BiS by Materials Project

Abstract

BiS crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two BiS ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–3.30 Å. In the second Bi2+ site, Bi2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.74–3.04 Å. In the third Bi2+ site, Bi2+ is bonded in a distorted single-bond geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–2.87 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Bi2+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ atoms. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ atoms.

Publication Date:
Other Number(s):
mp-28677
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; BiS; Bi-S
OSTI Identifier:
1202754
DOI:
https://doi.org/10.17188/1202754

Citation Formats

The Materials Project. Materials Data on BiS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202754.
The Materials Project. Materials Data on BiS by Materials Project. United States. doi:https://doi.org/10.17188/1202754
The Materials Project. 2020. "Materials Data on BiS by Materials Project". United States. doi:https://doi.org/10.17188/1202754. https://www.osti.gov/servlets/purl/1202754. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202754,
title = {Materials Data on BiS by Materials Project},
author = {The Materials Project},
abstractNote = {BiS crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two BiS ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–3.30 Å. In the second Bi2+ site, Bi2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.74–3.04 Å. In the third Bi2+ site, Bi2+ is bonded in a distorted single-bond geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–2.87 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Bi2+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ atoms. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Bi2+ atoms.},
doi = {10.17188/1202754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}