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Title: Materials Data on BaS4O by Materials Project

Abstract

BaS4O crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two BaS4O ribbons oriented in the (0, 1, 0) direction. Ba2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both Ba–O bond lengths are 2.57 Å. There are four inequivalent S sites. In the first S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.56 Å. In the second S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.55 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.12 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms. In the second O2- site, O2- ismore » bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms.« less

Publication Date:
Other Number(s):
mp-1182185
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; BaS4O; Ba-O-S
OSTI Identifier:
1751662
DOI:
https://doi.org/10.17188/1751662

Citation Formats

The Materials Project. Materials Data on BaS4O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751662.
The Materials Project. Materials Data on BaS4O by Materials Project. United States. doi:https://doi.org/10.17188/1751662
The Materials Project. 2020. "Materials Data on BaS4O by Materials Project". United States. doi:https://doi.org/10.17188/1751662. https://www.osti.gov/servlets/purl/1751662. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751662,
title = {Materials Data on BaS4O by Materials Project},
author = {The Materials Project},
abstractNote = {BaS4O crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two BaS4O ribbons oriented in the (0, 1, 0) direction. Ba2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both Ba–O bond lengths are 2.57 Å. There are four inequivalent S sites. In the first S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.56 Å. In the second S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.55 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.12 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms.},
doi = {10.17188/1751662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}